[2,2'-Biquinoline]-4,4'-dicarboxylic acid (CED0024373)

Record Information

Version

1.0

Creation Date

2026-04-03 12:56:00 UTC

Update Date

2026-08-20 04:28:19 UTC

Accession Number

CHEM064574

Identification

Common Name

[2,2'-Biquinoline]-4,4'-dicarboxylic acid

Class

Small Molecule

Description

[2,2'-Biquinoline]-4,4'-dicarboxylic acid belongs to the quinoline carboxylic acids, a subclass of quinolines and derivatives within the organic compounds. This organoheterocyclic compound has the chemical formula C20H12N2O4 and an average molecular weight of 344.33 g/mol. The substance is found in or released from six recorded sources across various categories. Within food, food processing, and cookware, it is associated with the preparation of wort, the preparation of wine or sparkling wine, and fermentation processes for beer. In the category of electrical and electronic equipment, it is linked to antennas as well as cores, yokes, or armatures. Additionally, it is found in household cleaning and consumer products, specifically in cigar cigarettes.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
[2,2'-Biquinoline]-4,4'-dicarboxylate	Generator
Bicinchoninic acid	HMDB

Chemical Formula

C₂₀H₁₂N₂O₄

Average Molecular Mass

344.326 g/mol

Monoisotopic Mass

344.080 g/mol

CAS Registry Number

1245-13-2

IUPAC Name

[2,2'-biquinoline]-4,4'-dicarboxylic acid

Traditional Name

bicinchoninic acid

SMILES

OC(=O)C1=CC(=NC2=CC=CC=C12)C1=CC(C(O)=O)=C2C=CC=CC2=N1

InChI Identifier

InChI=1S/C20H12N2O4/c23-19(24)13-9-17(21-15-7-3-1-5-11(13)15)18-10-14(20(25)26)12-6-2-4-8-16(12)22-18/h1-10H,(H,23,24)(H,25,26)

InChI Key

AFYDDZULBEJA-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at one or more positions.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Quinolines and derivatives

Sub Class

Quinoline carboxylic acids

Direct Parent

Quinoline carboxylic acids

Alternative Parents

Substituents

Quinoline-4-carboxylic acid
Bipyridine
Pyridine carboxylic acid
Pyridine carboxylic acid or derivatives
Dicarboxylic acid or derivatives
Pyridine
Benzenoid
Heteroaromatic compound
Carboxylic acid derivative
Carboxylic acid
Azacycle
Organic oxide
Organic nitrogen compound
Organopnictogen compound
Organic oxygen compound
Organooxygen compound
Organonitrogen compound
Hydrocarbon derivative
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

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

Property	Value	Source
Water Solubility	0.01 g/L	ALOGPS
logP	2.54	ALOGPS
logP	4.02	ChemAxon
logS	-4.5	ALOGPS
pKa (Strongest Acidic)	3.26	ChemAxon
pKa (Strongest Basic)	0.15	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	100.38 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	92.81 m³·mol⁻¹	ChemAxon
Polarizability	35.39 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Not Available

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
2745.0	Log mg/kg	[1500:4900]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
506	Antennas	Electrical & Electronic Equipment	Not Available
513	Cores Yokes Or Armatures	Electrical & Electronic Equipment	Not Available
544	Fermentation Processes For Beer	Food, food processing & cookware	Not Available
549	Preparation Of Wine Or Sparkling Wine	Food, food processing & cookware	Not Available
550	Preparation Of Wort	Food, food processing & cookware	Not Available
556	Cigar Cigarettes	Household cleaning & consumer products	Not Available
613	Depilatories	Personal care & cosmetics	Not Available
650	Purses Luggage Hand Bags	Textiles, leather & furnishings	Not Available
657	Surface Finishing Of Leather	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	Induced myeloid leukemia cell differentiation protein Mcl-1	Q07820	Humans	Predicted (SEA)	23.1991
Click to view 3D structure	Probable nicotinate-nucleotide adenylyltransferase	P65502	Staphylococcus aureus (strain N315)	Predicted (SEA)	2.10193
Click to view 3D structure	ATP-dependent molecular chaperone HSP82	C4YTQ8	Candida albicans (strain WO-1) (Yeast)	Predicted (SEA)	8.17417
Click to view 3D structure	DNA (cytosine-5)-methyltransferase 1	P26358	Humans	Predicted (SEA)	16.3483
Click to view 3D structure	Luciferin 4-monooxygenase	P08659	Photinus pyralis	Predicted (SEA)	7.70707
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Q13627	Humans	Predicted (SEA)	199.917
Click to view 3D structure	Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1	Q9GZU7	Humans	Predicted (SEA)	5.99439
Click to view 3D structure	Trans-cinnamate 4-monooxygenase	Q04468	Helianthus tuberosus	Predicted (SEA)	0.700643
Click to view 3D structure	Cyclin-dependent kinase 5	Q00535	Humans	Predicted (SEA)	199.216
Click to view 3D structure	Streptokinase A	P10520	Streptococcus pyogenes serotype M1	Predicted (SEA)	35.4214
Click to view 3D structure	Proline--tRNA ligase, cytoplasmic	P78600	Candida albicans	Predicted (SEA)	1.01204
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	393.995
Click to view 3D structure	Small ubiquitin-related modifier 1	P63165	Humans	Predicted (SEA)	3.89246
Click to view 3D structure	NACHT, LRR and PYD domains-containing protein 3	Q8R4B8	Mus musculus	Predicted (SEA)	2.95827
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 1B	Q9Y463	Humans	Predicted (SEA)	131.877
Click to view 3D structure	Dual specificity protein kinase CLK4	Q9HAZ1	Humans	Predicted (SEA)	250.207
Click to view 3D structure	Advanced glycosylation end product-specific receptor	Q63495	Rattus norvegicus	Predicted (SEA)	0.700643
Click to view 3D structure	Nicotinate phosphoribosyltransferase	Q6XQN6	Humans	Predicted (SEA)	1.08989
Click to view 3D structure	Carbonic anhydrase 15	Q99N23	Mus musculus	Predicted (SEA)	28.5707
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 2	Q92630	Humans	Predicted (SEA)	60.6445
Click to view 3D structure	Dual specificity protein kinase CLK1	P22518	Mus musculus	Predicted (SEA)	7.00643
Click to view 3D structure	Cytochrome c oxidase subunit 2	O78750	Ovis aries	Predicted (SEA)	0.233548
Click to view 3D structure	Protein-tyrosine kinase 2-beta	Q14289	Humans	Predicted (SEA)	203.887
Click to view 3D structure	Serine/threonine-protein kinase pim-1	P11309	Humans	Predicted (SEA)	379.826
Click to view 3D structure	Cyclin-dependent kinase 2	P24941	Humans	Predicted (SEA)	424.434