chempirical

Ethyl 4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxylate

C12H11NO4CAS 40059-53-8233.22 g/mol

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OOHONHO
EsterPhenol

Properties

Molecular formula
C12H11NO4
Molar mass
233.22 g/mol
Exact mass
233.0688 Da
Melting point
208 °C
logP
1.82Crippen estimate
Polar surface area
79.7 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
2

Identifiers

CAS number
40059-53-8
SMILES
CCOC(=O)c1c(O)nc2ccccc2c1O
InChIKey
LGLPFJDOUVCBNP-UHFFFAOYSA-N
InChI
InChI=1S/C12H11NO4/c1-2-17-12(16)9-10(14)7-5-3-4-6-8(7)13-11(9)15/h3-6H,2H2,1H3,(H2,13,14,15)

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Names and synonyms

3 names
  • 3-Quinolinecarboxylic acid, 1,2-dihydro-4-hydroxy-2-oxo-, ethyl ester
  • 3-Ethoxycarbonyl-2,4-dihydroxyquinoline
  • 3-Carbethoxy-4-hydroxy-2-quinolone

Work with Ethyl 4-hydroxy-2-oxo-1,2-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 salicylate118-61-645 % similar Diethyl 2,6-pyridinedicarboxylate15658-60-344 % similar Diethyl phthalate84-66-244 % similar Ethyl 2-hydroxy-6-methylbenzoate6555-40-444 % similar Ethyl benzoate93-89-043 % similar Ethyl 1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinecarboxylate28485-17-843 % similar Ethyl 3-indazolecarboxylate4498-68-443 % similar Ethyl 2-pyridinecarboxylate2524-52-942 % similar

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

Same formula

7-Amino-4-methylcoumarin-3-acetic acid106562-32-7 Methyl 1,4-dihydro-7-methoxy-4-oxo-6-quinolinecarboxylate205448-65-3 4-Phthalimidobutyric acid3130-75-4

Elsewhere

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