chempirical

4-Hydroxyquinoline-3-carboxylic acid ethyl ester

C12H11NO3CAS 26892-90-0217.22 g/mol

Open in Covalent MOL file
OONHO
Ester

Properties

Molecular formula
C12H11NO3
Molar mass
217.22 g/mol
Exact mass
217.0739 Da
logP
1.70Crippen estimate
Polar surface area
59.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
26892-90-0
SMILES
CCOC(=O)C1=CNC2=CC=CC=C2C1=O
InChIKey
YBEOYBKKSWUSBR-UHFFFAOYSA-N
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)

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Names and synonyms

1 names
  • Ethyl 4-oxo-1,4-dihydroquinoline-3-carboxylate

Work with 4-Hydroxyquinoline-3-carboxylic acid ethyl ester

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl indole-3-carboxylate776-41-079 % similar Ethyl 6-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylate122794-99-468 % similar Ethyl 6-fluoro-4-hydroxy-3-quinolinecarboxylate318-35-468 % similar Ethyl 8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate77156-75-366 % similar Ethyl 8-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate71083-06-265 % similar Ethyl 4-hydroxy-6-(trifluoromethoxy)-3-quinolinecarboxylate175203-85-763 % similar Ethyl 4-hydroxy-8-(trifluoromethyl)-3-quinolinecarboxylate23851-84-561 % similar Ethyl 4-hydroxy-8-(trifluoromethoxy)quinoline-3-carboxylate175278-35-058 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Phenyl-5-methyloxazole-4-acetic acid107367-98-6 Methyl N-(7-hydroxy-1-naphthalenyl)carbamate132-63-8 Oxazolone15646-46-5 5-(3-Aminophenyl)furan-2-carboxylic acid methyl ester54023-06-2 Ethyl 3-cyano-3-phenylpyruvate6362-63-6 Ethyl 5-phenylisoxazole-3-carboxylate7063-99-2 Indole-3-(4'-oxo)butyric acid835-45-0

Elsewhere

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