4-methyl-2-[2-(trifluoromethyl)morpholin-4-yl]quinoline

• ChemBase ID: 531926
• Molecular Formular: C15H15F3N2O
• Molecular Mass: 296.2876096
• Monoisotopic Mass: 296.11364777
• SMILES: c1(nc2c(c(c1)C)cccc2)N1CC(C(F)(F)F)OCC1
• Canonical SMILES: Cc1cc(nc2c1cccc2)N1CCOC(C1)C(F)(F)F
• InChI: InChI=1S/C15H15F3N2O/c1-10-8-14(19-12-5-3-2-4-11(10)12)20-6-7-21-13(9-20)15(16,17)18/h2-5,8,13H,6-7,9H2,1H3
• InChIKey: VLBZRPFKWZGXSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-2-[2-(trifluoromethyl)morpholin-4-yl]quinoline
• IUPAC Traditional name: 4-methyl-2-[2-(trifluoromethyl)morpholin-4-yl]quinoline
• Synonyms: 4-methyl-2-[2-(trifluoromethyl)morpholin-4-yl]quinoline

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 2
• H Acceptors: 2
• H Donor: 0
• Log P: 1.99
• LOG S: -3.06

JChem

• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.1117823
• LogD (pH = 7.4): 4.0853114
• Log P: 4.143186
• Molar Refractivity: 73.9574 cm^3
• Polarizability: 28.174225 Å^3
• Polar Surface Area: 25.36 Å^2