Ethyl 8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate

C₁₃H₁₃NO₃CAS 77156-75-3231.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₁₃NO₃
Molar mass: 231.25 g/mol
Exact mass: 231.0895 Da
logP: 2.01Crippen estimate
Polar surface area: 59.2 Å²
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

77156-75-3

SMILES

CCOC(=O)C1=CNC2=C(C=CC=C2C1=O)C

InChIKey

HYUYDOCMASKUMM-UHFFFAOYSA-N

InChI

InChI=1S/C13H13NO3/c1-3-17-13(16)10-7-14-11-8(2)5-4-6-9(11)12(10)15/h4-7H,3H2,1-2H3,(H,14,15)

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Names and synonyms

1 names

4-Hydroxy-8-methylquinoline-3-carboxylic acid ethyl ester

Work with Ethyl 8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate

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 8-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate71083-06-273 % similar Ethyl 4-hydroxy-8-(trifluoromethyl)-3-quinolinecarboxylate23851-84-569 % similar Ethyl 4-hydroxy-8-(trifluoromethoxy)quinoline-3-carboxylate175278-35-066 % similar 4-Hydroxyquinoline-3-carboxylic acid ethyl ester26892-90-066 % similar Ethyl 6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylate79660-46-156 % similar Ethyl indole-3-carboxylate776-41-054 % similar Ethyl 6-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylate122794-99-454 % similar Ethyl 6-fluoro-4-hydroxy-3-quinolinecarboxylate318-35-454 % similar

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

Same formula

Methyl 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate103788-64-3

Elsewhere

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