4-Hydroxyquinoline-3-carboxylic acid - CAS 34785-11-0

Catalog:	BB022285
Product Name:	4-Hydroxyquinoline-3-carboxylic acid
CAS:	34785-11-0
Synonyms:	4-oxo-1H-quinoline-3-carboxylic acid

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	4-oxo-1H-quinoline-3-carboxylic acid
Description:	4-Hydroxyquinoline-3-carboxylic acid (CAS# 34785-11-0) is a useful research chemical.
Molecular Weight:	189.17
Molecular Formula:	C10H7NO3
Canonical SMILES:	C1=CC=C2C(=C1)C(=O)C(=CN2)C(=O)O
InChI:	InChI=1S/C10H7NO3/c12-9-6-3-1-2-4-8(6)11-5-7(9)10(13)14/h1-5H,(H,11,12)(H,13,14)
InChI Key:	ILNJBIQQAIIMEY-UHFFFAOYSA-N
Boiling Point:	358.4 °C at 760 mmHg
Density:	1.429 g/cm³
LogP:	1.63860

Publication Number	Title	Priority Date
WO-2021067967-A1	Preparation of pyrazolo[3,4-b]pyridines as antimalarials	20191004
US-2021009556-A1	Compound for treating cystic fibrosis	20190712
WO-2021011327-A1	Compound for treating cystic fibrosis	20190712
WO-2020242935-A1	Methods of treatment for cystic fibrosis	20190529
WO-2020163816-A1	Quinolin-4-one and 4(1h)-cinnolinone compounds and methods of using same	20190208

PMID	Publication Date	Title	Journal
22383251	20120501	Investigations on the 4-quinolone-3-carboxylic acid motif part 5: modulation of the physicochemical profile of a set of potent and selective cannabinoid-2 receptor ligands through a bioisosteric approach	ChemMedChem
22365088	20120101	Nonclassical biological activities of quinolone derivatives	Journal of pharmacy & pharmaceutical sciences : a publication of the Canadian Society for Pharmaceutical Sciences, Societe canadienne des sciences pharmaceutiques
21873061	20111001	Synthesis and structure-activity relationship of 4-quinolone-3-carboxylic acid based inhibitors of glycogen synthase kinase-3β	Bioorganic & medicinal chemistry letters
21702498	20110811	Investigations on the 4-quinolone-3-carboxylic acid motif. 4. Identification of new potent and selective ligands for the cannabinoid type 2 receptor with diverse substitution patterns and antihyperalgesic effects in mice	Journal of medicinal chemistry
20718492	20100826	Investigations on the 4-quinolone-3-carboxylic acid motif. 3. Synthesis, structure-affinity relationships, and pharmacological characterization of 6-substituted 4-quinolone-3-carboxamides as highly selective cannabinoid-2 receptor ligands	Journal of medicinal chemistry

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride
[69616-74-6]
2',4-Dihydroxy-3',4',6'-trimethoxychalcone
[328270-02-6]
2-Amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
[1141669-47-7]
2-Amino-4-(1-imidazolyl)benzoic Acid

Quinoline/Isoquinoline

[938459-19-9]
2-Chloro-4-methyl-7-(methylthio)quinoline
[361982-79-8]
2-Chloro-4-methyl-7,8-dihydro-6H-cyclopenta[g]quinoline
[927800-47-3]
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[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
[13676-02-3]
2-Chloro-6-methoxyquinoline

GHS Hazard Statement:	H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	309
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.042593085
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	189.042593085
Rotatable Bond Count:	1
Topological Polar Surface Area:	66.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8