N-{7-methoxy-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinolin-6-yl}propanamide

• ChemBase ID: 580512
• Molecular Formular: C20H19F3N2O3
• Molecular Mass: 392.3716696
• Monoisotopic Mass: 392.13477714
• SMILES: c12C(c3c(C(F)(F)F)cccc3)CC(=O)Nc1cc(c(c2)NC(=O)CC)OC
• Canonical SMILES: CCC(=O)Nc1cc2c(cc1OC)NC(=O)CC2c1ccccc1C(F)(F)F
• InChI: InChI=1S/C20H19F3N2O3/c1-3-18(26)25-16-8-13-12(9-19(27)24-15(13)10-17(16)28-2)11-6-4-5-7-14(11)20(21,22)23/h4-8,10,12H,3,9H2,1-2H3,(H,24,27)(H,25,26)
• InChIKey: UPTNVMBTIVVZJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{7-methoxy-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinolin-6-yl}propanamide
• IUPAC Traditional name: N-{7-methoxy-2-oxo-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-6-yl}propanamide
• Synonyms: N-{7-methoxy-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinolin-6-yl}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.497668
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.5958652
• LogD (pH = 7.4): 3.5958622
• Log P: 3.5958652
• Molar Refractivity: 100.7563 cm^3
• Polarizability: 36.251537 Å^3
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.82
• LOG S: -4.47
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 4