Ethyl 4-(4-ethylanilino)-8-(trifluoromethyl)-3-quinolinecarboxylate
Basic information
- CAS
457935-85-2- Standard SMILES
CCOC(=O)c1cnc2c(C(F)(F)F)cccc2c1Nc1ccc(CC)cc1- InChIKey
MPYMWTNVFLZJEA-UHFFFAOYSA-N- Molecular formula
- C21H19F3N2O2
- Average molar mass
- 388.4 g/mol
- Monoisotopic mass
- 388.13986234
Names & identifiers
- Preferred name
- Ethyl 4-(4-ethylanilino)-8-(trifluoromethyl)-3-quinolinecarboxylate
- IUPAC
- ethyl 4-(4-ethylanilino)-8-(trifluoromethyl)quinoline-3-carboxylate
- English name
- ethyl 4-(4-ethylanilino)-8-(trifluoromethyl)-3-quinolinecarboxylate
- Molecular formula
- C21H19F3N2O2
- Molecular weight
- 388.38
Names & synonyms
ethyl 4-(4-ethylanilino)-8-(trifluoromethyl)-3-quinolinecarboxylateethyl 4-(4-ethylanilino)-8-(trifluoromethyl)quinoline-3-carboxylateAKOS002241871ST50197312AP-906/41640696ethyl 4-[(4-ethylphenyl)amino]-8-(trifluoromethyl)quinoline-3-carboxylate3-Quinolinecarboxylic acid, 4-[(4-ethylphenyl)amino]-8-(trifluoromethyl)-, ethyl ester
Database identifiers
- CAS
457935-85-2- PubChem CID
- 1643490
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 520
Physicochemical properties
- Boiling point
- 454.8 · 454.8±45.0 °C(Predicted)
- Density
- 1.279 · 1.279±0.06 g/cm3(Predicted)
- pka
- 3.52 · 3.52±0.50(Predicted)
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Compound notes
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