Ethyl 4-hydroxy-6-(trifluoromethoxy)-3-quinolinecarboxylate

C₁₃H₁₀F₃NO₄CAS 175203-85-7301.22 g/mol

Open in Covalent MOL file

Alkyl halide Ester Ether

Properties

Molecular formula: C₁₃H₁₀F₃NO₄
Molar mass: 301.22 g/mol
Exact mass: 301.0562 Da
logP: 2.60Crippen estimate
Polar surface area: 68.4 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3

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

175203-85-7

SMILES

CCOC(=O)c1c[nH]c2ccc(OC(F)(F)F)cc2c1=O

InChIKey

FLAKCZOPSFMNJL-UHFFFAOYSA-N

InChI

InChI=1S/C13H10F3NO4/c1-2-20-12(19)9-6-17-10-4-3-7(21-13(14,15)16)5-8(10)11(9)18/h3-6H,2H2,1H3,(H,17,18)

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Names and synonyms

2 names

3-Quinolinecarboxylic acid, 4-hydroxy-6-(trifluoromethoxy)-, ethyl ester
6-Trifluoromethoxy-4-hydroxy-3-ethoxycarbonylquinoline

Work with Ethyl 4-hydroxy-6-(trifluoromethoxy)-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-fluoro-4-hydroxy-3-quinolinecarboxylate318-35-469 % similar Ethyl 6-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylate122794-99-466 % similar 4-Hydroxy-6-(trifluoromethoxy)-3-quinolinecarboxylic acid175203-86-864 % similar 4-Hydroxyquinoline-3-carboxylic acid ethyl ester26892-90-063 % similar Ethyl 5-(trifluoromethoxy)-1H-indole-2-carboxylate175203-82-460 % similar Ethyl 4-hydroxy-8-(trifluoromethyl)-3-quinolinecarboxylate23851-84-554 % similar Ethyl indole-3-carboxylate776-41-052 % similar Ethyl 8-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate71083-06-252 % similar

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

Same formula

Ethyl 4-hydroxy-8-(trifluoromethoxy)quinoline-3-carboxylate175278-35-0

Elsewhere

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