4-Hydroxyquinoline-3-carboxylic acid ethyl ester - CAS 26892-90-0

Catalog:	BB019394
Product Name:	4-Hydroxyquinoline-3-carboxylic acid ethyl ester
CAS:	26892-90-0
Synonyms:	ethyl 4-oxo-1H-quinoline-3-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 4-oxo-1H-quinoline-3-carboxylate
Description:	4-Hydroxyquinoline-3-carboxylic acid ethyl ester (CAS# 26892-90-0) is a useful research chemical.
Molecular Weight:	217.22
Molecular Formula:	C12H11NO3
Canonical SMILES:	CCOC(=O)C1=CNC2=CC=CC=C2C1=O
InChI:	InChI=1S/C12H11NO3/c1-2-16-12(15)9-7-13-10-6-4-3-5-8(10)11(9)14/h3-7H,2H2,1H3,(H,13,14)
InChI Key:	YBEOYBKKSWUSBR-UHFFFAOYSA-N
Boiling Point:	343.7 °C at 760 mmHg
Density:	1.246 g/cm³
LogP:	2.11710

Publication Number	Title	Priority Date
CN-112679426-A	Intermediate compound for synthesis of nitrogen-containing heterocycle and preparation method and application thereof	20201230
CN-111646941-A	Sulfonamide derivative and preparation method and application thereof	20200717
WO-2020264581-A1	Boron containing compounds and their uses	20190628
CN-110282902-A	A kind of environment-friendly type compounding naphthalene series high-efficiency water-reducing agent and preparation method thereof	20190621
WO-2020242935-A1	Methods of treatment for cystic fibrosis	20190529

PMID	Publication Date	Title	Journal
16610795	20060420	4-quinolone derivatives: high-affinity ligands at the benzodiazepine site of brain GABA A receptors. synthesis, pharmacology, and pharmacophore modeling	Journal of medicinal chemistry

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1427004-19-0]
DBCO-PEG4-NHS ester
[17746-05-3]
Undecanoyl chloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[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

Quinoline/Isoquinoline

[1936054-65-7]
2,4-Dichloro-3,6-dimethylquinoline
[203506-30-3]
2-Amino-6-methoxy-3-methylquinoline
[927800-47-3]
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[938001-63-9]
9-Chloro-1-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[4,3-b]quinoline
[36034-54-5]
4-Methoxyisoquinoline
[1203578-65-7]
7-Bromo-2-phenylquinoline

GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P264, P270, P301+P312, P309+P311, P330, P405, and P501
Signal Word:	Warning

Complexity:	335
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	217.07389321
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	217.07389321
Rotatable Bond Count:	3
Topological Polar Surface Area:	55.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2