Ethyl 4-hydroxy-8-(trifluoromethoxy)quinoline-3-carboxylate

C₁₃H₁₀F₃NO₄CAS 175278-35-0301.22 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

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

175278-35-0

SMILES

CCOC(=O)C1=CNC2=C(C1=O)C=CC=C2OC(F)(F)F

InChIKey

MVLDLMQMSHLPLH-UHFFFAOYSA-N

InChI

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

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Work with Ethyl 4-hydroxy-8-(trifluoromethoxy)quinoline-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-quinolinecarboxylate23851-84-570 % similar Ethyl 8-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate71083-06-268 % similar Ethyl 8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate77156-75-366 % similar 4-Hydroxyquinoline-3-carboxylic acid ethyl ester26892-90-058 % similar Ethyl 6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylate79660-46-153 % similar Ethyl 6-fluoro-4-hydroxy-3-quinolinecarboxylate318-35-451 % similar Ethyl 6-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylate122794-99-448 % similar Ethyl indole-3-carboxylate776-41-048 % similar

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

Same formula

Ethyl 4-hydroxy-6-(trifluoromethoxy)-3-quinolinecarboxylate175203-85-7

Elsewhere

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