2-(3,7-dichloroquinoline-8-carbonyl)cyclohexane-1,3-dione (CED0250955)

Record Information

Version

1.0

Creation Date

2026-08-28 16:18:36 UTC

Update Date

2026-08-28 16:18:36 UTC

SynCED ID

CED0250955

Secondary Accession Numbers

CHEM295556

Identification

Common Name

2-(3,7-dichloroquinoline-8-carbonyl)cyclohexane-1,3-dione

Class

Small Molecule

Description

2-(3,7-dichloroquinoline-8-carbonyl)cyclohexane-1,3-dione belongs to the haloquinolines, a subclass of quinolines and derivatives within the organic compounds. This organoheterocyclic compound has the chemical formula C16H11Cl2NO3 and an average molecular weight of 336.20 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₆H₁₁Cl₂NO₃

Average Molecular Mass

Not Available

Monoisotopic Mass

335.012 g/mol

CAS Registry Number

1350901-36-8

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

C1CC(=O)C(C(=O)C1)C(=O)C2=C(C=CC3=CC(=CN=C32)Cl)Cl

InChI Identifier

InChI=1S/C16H11Cl2NO3/c17-9-6-8-4-5-10(18)13(15(8)19-7-9)16(22)14-11(20)2-1-3-12(14)21/h4-7,14H,1-3H2

InChI Key

SZPMWKUJLQEAEL-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000010	Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.	Agriculture & land management	PubChem
CEDs000596	Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.	Agriculture & land management	PubChem
CEDs000600	Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.	Agriculture & land management	PubChem
CEDs000602	Molluscicides?Molluscicides are synthetic chemicals specifically designed to control and eliminate mollusks, such as snails and slugs, which can be detrimental to crops and agricultural productivity.	Agriculture & land management	PubChem
CEDs000603	Nematocides?Nematocides are synthetic chemicals specifically designed to control nematodes, which are microscopic roundworms that can cause significant damage to crops and plants.	Agriculture & land management	PubChem

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	4-hydroxyphenylpyruvate dioxygenase	P93836	Arabidopsis thaliana	Predicted (SEA)	Prediction Confidence Score 0.264 Applicability Domain 0.4 Statistical Significance 1.00e-05 Supporting Reference Compounds 2 E-value 0.0778492
Click to view 3D structure	Kynurenine 3-monooxygenase	P38169	Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)	Predicted (SEA)	Prediction Confidence Score 0.259 Applicability Domain 0.259 Low confidence Statistical Significance 0.0011 Supporting Reference Compounds 1 E-value 8.87481
Click to view 3D structure	4-hydroxyphenylpyruvate dioxygenase	Q02110	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.259 Applicability Domain 0.322 Statistical Significance 3.00e-05 Supporting Reference Compounds 2 E-value 0.233548
Click to view 3D structure	Non-receptor tyrosine-protein kinase TYK2	P29597	Humans	Predicted (SEA)	Prediction Confidence Score 0.247 Applicability Domain 0.27 Low confidence Statistical Significance 0.3231 Supporting Reference Compounds 657 E-value 2515.0
Click to view 3D structure	4-hydroxyphenylpyruvate dioxygenase	P32754	Humans	Predicted (SEA)	Prediction Confidence Score 0.242 Applicability Domain 0.322 Statistical Significance 6.00e-05 Supporting Reference Compounds 2 E-value 0.467095
Click to view 3D structure	Tyrosine-protein kinase JAK2	O60674	Humans	Predicted (SEA)	Prediction Confidence Score 0.242 Applicability Domain 0.27 Low confidence Statistical Significance 0.458 Supporting Reference Compounds 1022 E-value 3565.81
Click to view 3D structure	Tyrosine-protein kinase receptor TYRO3	Q06418	Humans	Predicted (SEA)	Prediction Confidence Score 0.239 Applicability Domain 0.247 Low confidence Statistical Significance 0.3686 Supporting Reference Compounds 543 E-value 2869.21
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	Prediction Confidence Score 0.239 Applicability Domain 0.247 Low confidence Statistical Significance 0.5278 Supporting Reference Compounds 1301 E-value 4109.04
Click to view 3D structure	Hepatocyte growth factor receptor	P08581	Humans	Predicted (SEA)	Prediction Confidence Score 0.238 Applicability Domain 0.247 Low confidence Statistical Significance 0.4651 Supporting Reference Compounds 934 E-value 3620.61
Click to view 3D structure	Tyrosine-protein kinase JAK3	P52333	Humans	Predicted (SEA)	Prediction Confidence Score 0.238 Applicability Domain 0.258 Low confidence Statistical Significance 0.4763 Supporting Reference Compounds 961 E-value 3707.88
Click to view 3D structure	High affinity nerve growth factor receptor	P04629	Humans	Predicted (SEA)	Prediction Confidence Score 0.236 Applicability Domain 0.247 Low confidence Statistical Significance 0.4817 Supporting Reference Compounds 869 E-value 3750.07
Click to view 3D structure	Tyrosine-protein kinase receptor UFO	P30530	Humans	Predicted (SEA)	Prediction Confidence Score 0.235 Applicability Domain 0.247 Low confidence Statistical Significance 0.3445 Supporting Reference Compounds 475 E-value 2681.98
Click to view 3D structure	Tyrosine-protein kinase Lck	P06239	Humans	Predicted (SEA)	Prediction Confidence Score 0.235 Applicability Domain 0.246 Low confidence Statistical Significance 0.5573 Supporting Reference Compounds 1130 E-value 4338.46
Click to view 3D structure	Casein kinase I isoform delta	P48730	Humans	Predicted (SEA)	Prediction Confidence Score 0.235 Applicability Domain 0.246 Low confidence Statistical Significance 0.4178 Supporting Reference Compounds 637 E-value 3252.38
Click to view 3D structure	Rho-associated protein kinase 1	Q13464	Humans	Predicted (SEA)	Prediction Confidence Score 0.235 Applicability Domain 0.246 Low confidence Statistical Significance 0.4861 Supporting Reference Compounds 834 E-value 3784.02
Click to view 3D structure	Ribosomal protein S6 kinase beta-1	P23443	Humans	Predicted (SEA)	Prediction Confidence Score 0.235 Applicability Domain 0.246 Low confidence Statistical Significance 0.4137 Supporting Reference Compounds 590 E-value 3220.54
Click to view 3D structure	Proto-oncogene tyrosine-protein kinase Src	P12931	Humans	Predicted (SEA)	Prediction Confidence Score 0.234 Applicability Domain 0.246 Low confidence Statistical Significance 0.5321 Supporting Reference Compounds 1158 E-value 4142.51
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	Prediction Confidence Score 0.233 Applicability Domain 0.258 Low confidence Statistical Significance 0.5486 Supporting Reference Compounds 793 E-value 4271.12
Click to view 3D structure	Insulin receptor	P06213	Humans	Predicted (SEA)	Prediction Confidence Score 0.233 Applicability Domain 0.246 Low confidence Statistical Significance 0.4811 Supporting Reference Compounds 772 E-value 3745.48
Click to view 3D structure	Mitogen-activated protein kinase 1	P28482	Humans	Predicted (SEA)	Prediction Confidence Score 0.233 Applicability Domain 0.246 Low confidence Statistical Significance 0.4797 Supporting Reference Compounds 763 E-value 3734.12
Click to view 3D structure	Ephrin type-A receptor 2	P29317	Humans	Predicted (SEA)	Prediction Confidence Score 0.233 Applicability Domain 0.246 Low confidence Statistical Significance 0.4394 Supporting Reference Compounds 611 E-value 3420.54
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.233 Applicability Domain 0.258 Low confidence Statistical Significance 0.7077 Supporting Reference Compounds 1245 E-value 5509.23
Click to view 3D structure	Fibroblast growth factor receptor 1	P11362	Humans	Predicted (SEA)	Prediction Confidence Score 0.232 Applicability Domain 0.246 Low confidence Statistical Significance 0.5338 Supporting Reference Compounds 1010 E-value 4155.28
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.232 Applicability Domain 0.258 Low confidence Statistical Significance 0.7492 Supporting Reference Compounds 1538 E-value 5832.46
Click to view 3D structure	Tyrosine-protein kinase JAK1	P23458	Humans	Predicted (SEA)	Prediction Confidence Score 0.232 Applicability Domain 0.27 Low confidence Statistical Significance 0.3081 Supporting Reference Compounds 368 E-value 2398.38