1-Ethyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid ethyl ester

C₁₄H₁₂F₃NO₃CAS 100501-62-0299.25 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₁₄H₁₂F₃NO₃
Molar mass: 299.25 g/mol
Exact mass: 299.0769 Da
Melting point: 201–202 °C
logP: 2.62Crippen estimate
Polar surface area: 48.3 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Identifiers

CAS number

100501-62-0

SMILES

CCOC(=O)c1cn(CC)c2c(F)c(F)c(F)cc2c1=O

InChIKey

LWLLHOVWIFISMG-UHFFFAOYSA-N

InChI

InChI=1S/C14H12F3NO3/c1-3-18-6-8(14(20)21-4-2)13(19)7-5-9(15)10(16)11(17)12(7)18/h5-6H,3-4H2,1-2H3

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Names and synonyms

1 names

3-Quinolinecarboxylic acid, 1-ethyl-6,7,8-trifluoro-1,4-dihydro-4-oxo-, ethyl ester

Work with 1-Ethyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid ethyl ester

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

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

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