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

• ChemBase ID: 468225
• Molecular Formular: C15H15F3N2O
• Molecular Mass: 296.2876096
• Monoisotopic Mass: 296.11364777
• SMILES: N1(c2c3c(ncc2)ccc(c3)C)CC(C(F)(F)F)OCC1
• Canonical SMILES: Cc1ccc2c(c1)c(ccn2)N1CCOC(C1)C(F)(F)F
• InChI: InChI=1S/C15H15F3N2O/c1-10-2-3-12-11(8-10)13(4-5-19-12)20-6-7-21-14(9-20)15(16,17)18/h2-5,8,14H,6-7,9H2,1H3
• InChIKey: WOLRBAZSMQURQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-4-[2-(trifluoromethyl)morpholin-4-yl]quinoline
• IUPAC Traditional name: 6-methyl-4-[2-(trifluoromethyl)morpholin-4-yl]quinoline
• Synonyms: 6-methyl-4-[2-(trifluoromethyl)morpholin-4-yl]quinoline

CALCULATED PROPERTIES

JChem

• Molar Refractivity: 73.6439 cm^3
• Polarizability: 28.173553 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.2272835
• LogD (pH = 7.4): 2.8328092
• Log P: 3.5487285

供应商提供(Chembridge)

• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 2
• H Acceptors: 2
• H Donor: 0
• Log P: 3.07
• LOG S: -3.98