7-[2-(trifluoromethyl)morpholine-4-carbonyl]quinoline

• ChemBase ID: 569743
• Molecular Formular: C15H13F3N2O2
• Molecular Mass: 310.2711296
• Monoisotopic Mass: 310.09291233
• SMILES: N1(C(=O)c2cc3ncccc3cc2)CC(C(F)(F)F)OCC1
• Canonical SMILES: O=C(c1ccc2c(c1)nccc2)N1CCOC(C1)C(F)(F)F
• InChI: InChI=1S/C15H13F3N2O2/c16-15(17,18)13-9-20(6-7-22-13)14(21)11-4-3-10-2-1-5-19-12(10)8-11/h1-5,8,13H,6-7,9H2
• InChIKey: GRYDKYGDHZXTKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[2-(trifluoromethyl)morpholine-4-carbonyl]quinoline
• IUPAC Traditional name: 7-[2-(trifluoromethyl)morpholine-4-carbonyl]quinoline
• Synonyms: 7-{[2-(trifluoromethyl)-4-morpholinyl]carbonyl}quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.2241538
• LogD (pH = 7.4): 2.225242
• Log P: 2.2252557
• Molar Refractivity: 73.0459 cm^3
• Polarizability: 28.194998 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.87
• LOG S: -2.21
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 2