3-Quinolinecarboxylic acid - CAS 6480-68-8

Catalog:	BB032554
Product Name:	3-Quinolinecarboxylic acid
CAS:	6480-68-8
Synonyms:	quinoline-3-carboxylic acid

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	quinoline-3-carboxylic acid
Description:	A quinoline derivative with antimicrobial activity.
Molecular Weight:	173.17
Molecular Formula:	C10H7NO2
Canonical SMILES:	C1=CC=C2C(=C1)C=C(C=N2)C(=O)O
InChI:	InChI=1S/C10H7NO2/c12-10(13)8-5-7-3-1-2-4-9(7)11-6-8/h1-6H,(H,12,13)
InChI Key:	DJXNJVFEFSWHLY-UHFFFAOYSA-N
Boiling Point:	348.7 °C at 760 mmHg
Melting Point:	277-283 °C
Purity:	95 %
Density:	1.339 g/cm³
Appearance:	White to slightly beige powder
Storage:	Store in a tightly closed container. Store in a cool, dry area away from incompatible substances.
MDL:	MFCD00006770
LogP:	1.93300

Publication Number	Title	Priority Date
US-2021147386-A1	Pyrrolidine and piperidine compounds	20191106
WO-2021068950-A1	Amide compound and medical use thereof as sting inhibitor	20191012
WO-2021041730-A1	Compositions for small molecule therapeutic agent compounds	20190828
WO-2021041740-A1	Compositions of opioid antagonists, implant devices, and treatment methods for opioid use disorder	20190828
WO-2021032687-A1	Antimalarial hexahydropyrimidine analogues	20190819

PMID	Publication Date	Title	Journal
26593444	20160101	The estrogenic effect of trigonelline and 3,3-diindolymethane on cell growth in non-malignant colonocytes	Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association
22914814	20121014	Temperature-/solvent-dependent low-dimensional compounds based on quinoline-2,3-dicarboxylic acid: structures and fluorescent properties	Dalton transactions (Cambridge, England : 2003)
22736073	20120901	Anti-proliferative and pro-apoptotic effects of 3,3'-diindolylmethane in human cervical cancer cells	Oncology reports
22969472	20120901	catena-Poly[disilver(I)(Ag-Ag)-bis-(μ(3)-quinoline-3-carboxyl-ato)-1:2:1'κ(3)O:O':N;2:1'':2''κ(3)N:O:O']	Acta crystallographica. Section E, Structure reports online
22346840	20120201	Poly[(μ(2)-quinoline-3-carboxyl-ato-κN:O)(μ(2)-quinoline-3-carboxyl-ato-κN:O,O')cadmium]	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

Carbonyl Compounds

[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[59855-96-8]
2-(Methoxymethyl)thiazole-5-carboxylic Acid
[1016519-61-1]
2-(Methyl-2-pyridylamino)acetic Acid

Quinoline/Isoquinoline

[30740-95-5]
6,7-Dimethoxy-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid hydrochloride
[938001-63-9]
9-Chloro-1-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[4,3-b]quinoline
[892874-65-6]
2,7-Dimethylquinoline-3-carboxylic acid ethyl ester
[77156-78-6]
4-Hydroxy-6-methoxyquinoline-3-carboxylic acid ethyl ester
[891782-60-8]
7-Bromo-3,4-dihydro-2H-isoquinolin-1-one
[1394843-51-6]
3-Hydroxy-1-methyl-6-nitroquinolin-2(1H)-one

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	205
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	173.047678466
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	173.047678466
Rotatable Bond Count:	1
Topological Polar Surface Area:	50.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7