Ethyl 6-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylate

C₁₂H₁₀BrNO₃CAS 122794-99-4296.12 g/mol

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Aryl halide Ester

Properties

Molecular formula: C₁₂H₁₀BrNO₃
Molar mass: 296.12 g/mol
Exact mass: 294.9844 Da
logP: 2.47Crippen estimate
Polar surface area: 59.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Identifiers

CAS number

122794-99-4

SMILES

CCOC(=O)C1=CNC2=C(C1=O)C=C(C=C2)Br

InChIKey

IVZIOBTVAJBBAS-UHFFFAOYSA-N

InChI

InChI=1S/C12H10BrNO3/c1-2-17-12(16)9-6-14-10-4-3-7(13)5-8(10)11(9)15/h3-6H,2H2,1H3,(H,14,15)

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Names and synonyms

1 names

6-Bromo-4-hydroxyquinoline-3-carboxylic acid ethyl ester

Work with Ethyl 6-bromo-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 4-hydroxy-6-(trifluoromethoxy)-3-quinolinecarboxylate175203-85-766 % similar Decoquinate18507-89-657 % similar Ethyl indole-3-carboxylate776-41-056 % similar Ethyl 8-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate71083-06-253 % similar Ethyl 5-bromo-2-chlorobenzoate76008-73-652 % similar Ethyl 6-bromoindole-2-carboxylate103858-53-352 % similar Ethyl 6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylate79660-46-152 % similar Ethyl 4-hydroxy-8-(trifluoromethyl)-3-quinolinecarboxylate23851-84-550 % similar

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

Elsewhere

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