chempirical

Ethyl 4-hydroxy-8-(trifluoromethyl)-3-quinolinecarboxylate

C13H10F3NO3CAS 23851-84-5285.22 g/mol

Open in Covalent MOL file
OONHFFFO
Alkyl halideEster

Properties

Molecular formula
C13H10F3NO3
Molar mass
285.22 g/mol
Exact mass
285.0613 Da
Melting point
216 °C
logP
2.72Crippen estimate
Polar surface area
59.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
23851-84-5
SMILES
CCOC(=O)c1c[nH]c2c(C(F)(F)F)cccc2c1=O
InChIKey
XSNJFNKOHAUNPO-UHFFFAOYSA-N
InChI
InChI=1S/C13H10F3NO3/c1-2-20-12(19)8-6-17-10-7(11(8)18)4-3-5-9(10)13(14,15)16/h3-6H,2H2,1H3,(H,17,18)

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Names and synonyms

3 names
  • 3-Quinolinecarboxylic acid, 4-hydroxy-8-(trifluoromethyl)-, ethyl ester
  • NSC 103777
  • 4-Hydroxy-8-(trifluoromethyl)-3-quinolinecarboxylic Acid Ethyl Ester

Work with Ethyl 4-hydroxy-8-(trifluoromethyl)-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 8-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate71083-06-271 % similar 4-Hydroxy-8-(trifluoromethyl)-3-quinolinecarboxylic acid23779-95-562 % similar Ethyl o-(trifluoromethyl)benzoate577-62-857 % similar Ethyl 6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylate79660-46-154 % similar Ethyl 4-hydroxy-6-(trifluoromethoxy)-3-quinolinecarboxylate175203-85-754 % similar Ethyl 6-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylate122794-99-450 % similar Ethyl indole-3-carboxylate776-41-050 % similar Ethyl 2-amino-4-(trifluoromethyl)-5-pyrimidinecarboxylate149771-09-547 % similar

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

Elsewhere

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