N-{[7-fluoro-2-(4-methylphenyl)quinolin-3-yl]methyl}-N-(2-methoxyethyl)-2-(thiophen-3-yl)acetamide

• ChemBase ID: 723148
• Molecular Formular: C26H25FN2O2S
• Molecular Mass: 448.5523032
• Monoisotopic Mass: 448.16207727
• SMILES: n1c(c(CN(C(=O)Cc2cscc2)CCOC)cc2c1cc(cc2)F)c1ccc(cc1)C
• Canonical SMILES: COCCN(C(=O)Cc1ccsc1)Cc1cc2ccc(cc2nc1c1ccc(cc1)C)F
• InChI: InChI=1S/C26H25FN2O2S/c1-18-3-5-20(6-4-18)26-22(14-21-7-8-23(27)15-24(21)28-26)16-29(10-11-31-2)25(30)13-19-9-12-32-17-19/h3-9,12,14-15,17H,10-11,13,16H2,1-2H3
• InChIKey: NUOCECVQMMTWDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[7-fluoro-2-(4-methylphenyl)quinolin-3-yl]methyl}-N-(2-methoxyethyl)-2-(thiophen-3-yl)acetamide
• IUPAC Traditional name: N-{[7-fluoro-2-(4-methylphenyl)quinolin-3-yl]methyl}-N-(2-methoxyethyl)-2-(thiophen-3-yl)acetamide
• Synonyms: N-{[7-fluoro-2-(4-methylphenyl)-3-quinolinyl]methyl}-N-(2-methoxyethyl)-2-(3-thienyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.5545835
• LogD (pH = 7.4): 5.5561767
• Log P: 5.5561967
• Molar Refractivity: 125.6862 cm^3
• Polarizability: 50.49978 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.93
• LOG S: -5.63
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 7