4-[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-hydroxymethyl]quinolin-6-ol (CED0268923)

Record Information

Version

1.0

Creation Date

2026-08-29 16:21:07 UTC

Update Date

2026-08-29 16:21:07 UTC

Accession Number

CHEM314010

Identification

Common Name

4-[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-hydroxymethyl]quinolin-6-ol

Class

Small Molecule

Description

4-[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-hydroxymethyl]quinolin-6-ol is a chemical compound with the formula C19H22N2O2. It has an average molecular weight of 310.40 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₉H₂₂N₂O₂

Average Molecular Mass

Not Available

Monoisotopic Mass

310.168 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

C=CC1CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)O)O

InChI Identifier

InChI=1S/C19H22N2O2/c1-2-12-11-21-8-6-13(12)9-18(21)19(23)15-5-7-20-17-4-3-14(22)10-16(15)17/h2-5,7,10,12-13,18-19,22-23H,1,6,8-9,11H2

InChI Key

VJFMSYZSFUWQPZ-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

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-000i-0910000000-bcff4cbedc8b0b7b17c2	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-0009000000-d568762be5b8190f6c48	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-0329000000-a5466ca951adab0ab8d4	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-05gi-0920000000-6656528c2fa1440522c8	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-0009000000-6a3b822df85e34e5504e	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-0859000000-b4ec3051c9b5b957a443	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a6u-0933000000-f0ec4f2ef205484ef4ae	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
278.0	Log mg/kg	[160:500]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
650	Purses Luggage Hand Bags	Textiles, leather & furnishings	Not Available

Pathways

0 pathways

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	Cytochrome P450 2D4	Q64680	Rattus norvegicus	Predicted (SEA)	0.0778492
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	50.057
Click to view 3D structure	A-type voltage-gated potassium channel KCND2	Q63881	Rattus norvegicus	Predicted (SEA)	0.0778492
Click to view 3D structure	ATP-dependent translocase ABCB1	P08183	Humans	Predicted (SEA)	16.6597
Click to view 3D structure	Cytochrome P450 2D26	P10634	Rattus norvegicus	Predicted (SEA)	0.155698
Click to view 3D structure	Solute carrier family 22 member 1	Q63089	Rattus norvegicus	Predicted (SEA)	0.0778492
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	944.078
Click to view 3D structure	Cholinesterase	P06276	Humans	Predicted (SEA)	183.024
Click to view 3D structure	Cholinesterase	P81908	Equus caballus	Predicted (SEA)	202.719
Click to view 3D structure	Sodium channel protein type 5 subunit alpha	Q14524	Humans	Predicted (SEA)	193.066
Click to view 3D structure	Voltage-dependent L-type calcium channel subunit alpha-1C	P22002	Rattus norvegicus	Predicted (SEA)	13.935
Click to view 3D structure	Solute carrier family 22 member 2	O70577	Mus musculus	Predicted (SEA)	0.0778492
Click to view 3D structure	Solute carrier family 22 member 2	O15244	Humans	Predicted (SEA)	3.03612
Click to view 3D structure	ATP-dependent translocase ABCB1	P06795	Mus musculus	Predicted (SEA)	23.1212
Click to view 3D structure	Solute carrier organic anion transporter family member 1A1	P46720	Rattus norvegicus	Predicted (SEA)	11.7552
Click to view 3D structure	Potassium voltage-gated channel subfamily A member 5	P22460	Humans	Predicted (SEA)	54.6502
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	2210.84
Click to view 3D structure	Indoleamine 2,3-dioxygenase 1	P14902	Humans	Predicted (SEA)	408.397
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	5723.71
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	5127.62
Click to view 3D structure	Cytochrome P450 2C8	P10632	Humans	Predicted (SEA)	2729.0
Click to view 3D structure	Mitogen-activated protein kinase 14	Q16539	Humans	Predicted (SEA)	4544.06
Click to view 3D structure	Receptor-interacting serine/threonine-protein kinase 2	O43353	Humans	Predicted (SEA)	2263.62
Click to view 3D structure	G_PROTEIN_RECEP_F1_2 domain-containing protein	F7HEV7	Macaca mulatta	Predicted (SEA)	24.6004
Click to view 3D structure	Kappa-type opioid receptor	H9FL65	Macaca mulatta	Predicted (SEA)	24.6004