2-Hydroxyquinoline-3-carbaldehyde - CAS 91301-03-0

Catalog:	BB040112
Product Name:	2-Hydroxyquinoline-3-carbaldehyde
CAS:	91301-03-0
Synonyms:	2-oxo-1H-quinoline-3-carbaldehyde

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	2-oxo-1H-quinoline-3-carbaldehyde
Description:	2-Hydroxyquinoline-3-carbaldehyde (CAS# 91301-03-0) is a useful research chemical.
Molecular Weight:	173.17
Molecular Formula:	C10H7NO2
Canonical SMILES:	C1=CC=C2C(=C1)C=C(C(=O)N2)C=O
InChI:	InChI=1S/C10H7NO2/c12-6-8-5-7-3-1-2-4-9(7)11-10(8)13/h1-6H,(H,11,13)
InChI Key:	VWHKEYXRRNSJTN-UHFFFAOYSA-N
Boiling Point:	434.9 °C at 760 mmHg
Density:	1.367 g/cm³
MDL:	MFCD00563443
LogP:	1.75290

Publication Number	Title	Priority Date
WO-2020074666-A1	Quinolylnitrones for the treatment and prevention of a cerebral stroke or ischaemia	20181010
EP-3863632-A1	Quinolylnitrones for the treatment and prevention of a cerebral stroke or ischaemia	20181010
US-2021330662-A1	Quinolylnitrones for the treatment and prevention of a cerebral stroke or ischaemia	20181010
CN-110669053-A	Zearalenone derivative and synthesis method thereof	20180702
WO-2019243419-A1	Brachygel for treatment of cancer and/or for guidance of surgery	20180619

PMID	Publication Date	Title	Journal
22354161	20120421	A novel water soluble ligand bridged cobalt(II) coordination polymer of 2-oxo-1,2-dihydroquinoline-3-carbaldehyde (isonicotinic) hydrazone: evaluation of the DNA binding, protein interaction, radical scavenging and anticancer activity	Dalton transactions (Cambridge, England : 2003)
21843908	20110901	Biological evaluation of a novel water soluble sulphur bridged binuclear copper(II) thiosemicarbazone complex	European journal of medicinal chemistry
21431149	20110507	Effect of terminal N-substitution in 2-oxo-1,2-dihydroquinoline-3-carbaldehyde thiosemicarbazones on the mode of coordination, structure, interaction with protein, radical scavenging and cytotoxic activity of copper(II) complexes	Dalton transactions (Cambridge, England : 2003)
21578940	20091128	(E)-3-Methyl-4-[(2-oxidoquinolin-1-ium-3-yl)methyl-eneamino]-1H-1,2,4-triazole-5(4H)-thione N,N-dimethyl-formamide solvate	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

Quinoline/Isoquinoline

[948291-36-9]
2,5-Dichloro-8-methylquinoline-3-carboxaldehyde
[4965-34-8]
7-Bromo-2-methylquinoline
[891782-60-8]
7-Bromo-3,4-dihydro-2H-isoquinolin-1-one
[312713-96-5]
7-Chloro-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
[1245816-24-3]
8-(Tributylstannyl)isoquinoline
[7651-83-4]
7-Isoquinolinol

GHS Hazard Statement:	H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501
Signal Word:	Warning

Complexity:	270
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:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	173.047678466
Rotatable Bond Count:	1
Topological Polar Surface Area:	46.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1