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

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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)

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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 8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate77156-75-373 % similar Ethyl 4-hydroxy-8-(trifluoromethyl)-3-quinolinecarboxylate23851-84-571 % similar Ethyl 4-hydroxy-8-(trifluoromethoxy)quinoline-3-carboxylate175278-35-068 % similar Ethyl 6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylate79660-46-167 % similar 4-Hydroxyquinoline-3-carboxylic acid ethyl ester26892-90-065 % 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

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 6-fluoro-4-hydroxy-3-quinolinecarboxylate318-35-4

Elsewhere

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