Ethyl 6-fluoro-4-hydroxy-3-quinolinecarboxylate

C₁₂H₁₀FNO₃CAS 318-35-4235.21 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
logP: 1.84Crippen estimate
Polar surface area: 59.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

318-35-4

SMILES

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

InChIKey

LNPRCADPRULVTR-UHFFFAOYSA-N

InChI

InChI=1S/C12H10FNO3/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

Ethyl 6-fluoro-4-hydroxyquinoline-3-carboxylate

Work with Ethyl 6-fluoro-4-hydroxy-3-quinolinecarboxylate

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-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylate122794-99-471 % similar Ethyl 4-hydroxy-6-(trifluoromethoxy)-3-quinolinecarboxylate175203-85-769 % similar 4-Hydroxyquinoline-3-carboxylic acid ethyl ester26892-90-068 % similar 1,4-Dihydro-6-fluoro-4-oxoquinoline-3-carboxylic acid343-10-259 % similar Ethyl 6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylate79660-46-157 % similar Decoquinate18507-89-657 % similar Ethyl indole-3-carboxylate776-41-056 % similar Ethyl 5-fluoroindole-2-carboxylate348-36-755 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 8-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate71083-06-2

Elsewhere

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