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

C₁₂H₁₀BrNO₃CAS 122794-99-4296.12 g/mol

Open in Covalent MOL file

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

Hazards

Warning

H319 Causes serious eye irritation100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

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 6-fluoro-4-hydroxy-3-quinolinecarboxylate318-35-471 % similar 4-Hydroxyquinoline-3-carboxylic acid ethyl ester26892-90-068 % similar Ethyl 4-hydroxy-6-(trifluoromethoxy)-3-quinolinecarboxylate175203-85-766 % similar 6-Bromo-4-hydroxyquinoline-3-carboxylic acid98948-95-960 % similar Decoquinate18507-89-657 % similar Ethyl indole-3-carboxylate776-41-056 % similar 2-(Ethoxycarbonyl)-5-bromo-indole16732-70-055 % similar Ethyl 8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate77156-75-354 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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