chempirical

Methyl 1,4-dihydro-7-methoxy-4-oxo-6-quinolinecarboxylate

C12H11NO4CAS 205448-65-3233.22 g/mol

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OOONHO
EsterEther

Properties

Molecular formula
C12H11NO4
Molar mass
233.22 g/mol
Exact mass
233.0688 Da
logP
1.32Crippen estimate
Polar surface area
68.4 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Identifiers

CAS number
205448-65-3
SMILES
COC(=O)c1cc2c(=O)cc[nH]c2cc1OC
InChIKey
TYKSVPGCVLNVIO-UHFFFAOYSA-N
InChI
InChI=1S/C12H11NO4/c1-16-11-6-9-7(10(14)3-4-13-9)5-8(11)12(15)17-2/h3-6H,1-2H3,(H,13,14)

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Names and synonyms

3 names
  • 6-Quinolinecarboxylic acid, 1,4-dihydro-7-methoxy-4-oxo-, methyl ester
  • 7-Methoxy-6-(methoxycarbonyl)-1,4-dihydroquinolin-4-one
  • Methyl 7-methoxy-4-oxo-1,4-dihydroquinoline-6-carboxylate

Work with Methyl 1,4-dihydro-7-methoxy-4-oxo-6-quinolinecarboxylate

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

6,7-Dimethoxy-4-hydroxyquinoline13425-93-966 % similar Methyl 6-bromoindole-4-carboxylate107650-22-651 % similar 6-Fluoro-1H-indole-4-carboxylic acid methyl ester1082040-43-451 % similar Methyl 4-amino-6-indolecarboxylate121561-15-748 % similar Methyl 2,4-dimethoxybenzoate2150-41-648 % similar Methyl 4-bromo-2-methoxybenzoate139102-34-446 % similar Methyl 4-fluoro-2-methoxybenzoate204707-42-646 % similar Methyl 4-amino-2-methoxybenzoate27492-84-846 % similar

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

Same formula

7-Amino-4-methylcoumarin-3-acetic acid106562-32-7 4-Phthalimidobutyric acid3130-75-4 Ethyl 4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxylate40059-53-8

Elsewhere

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