Ethyl 8-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

C₁₂H₁₀FNO₃CAS 71083-06-2235.21 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₁₂H₁₀FNO₃
Molar mass: 235.21 g/mol
Exact mass: 235.0645 Da
Melting point: 178 °C
logP: 1.84Crippen estimate
Polar surface area: 59.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Identifiers

CAS number

71083-06-2

SMILES

CCOC(=O)c1c[nH]c2c(F)cccc2c1=O

InChIKey

MPUYCZQHTGRPNE-UHFFFAOYSA-N

InChI

InChI=1S/C12H10FNO3/c1-2-17-12(16)8-6-14-10-7(11(8)15)4-3-5-9(10)13/h3-6H,2H2,1H3,(H,14,15)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

3-Quinolinecarboxylic acid, 8-fluoro-1,4-dihydro-4-oxo-, ethyl ester

Work with Ethyl 8-fluoro-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-8-(trifluoromethyl)-3-quinolinecarboxylate23851-84-571 % similar Ethyl 6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylate79660-46-167 % similar Ethyl o-fluorobenzoate443-26-554 % similar Ethyl indole-3-carboxylate776-41-053 % similar Ethyl 6-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylate122794-99-453 % similar Ethyl 4-hydroxy-6-(trifluoromethoxy)-3-quinolinecarboxylate175203-85-752 % similar Ethyl 2,4-difluorobenzoate108928-00-345 % similar Decoquinate18507-89-644 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook