2-(4-fluorophenyl)-N-{[7-methoxy-2-(morpholin-4-yl)quinolin-3-yl]methyl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

• ChemBase ID: 390201
• Molecular Formular: C30H35FN4O4
• Molecular Mass: 534.6217032
• Monoisotopic Mass: 534.26423384
• SMILES: c1(c(CN(C(=O)Cc2ccc(F)cc2)CCCN2C(=O)CCC2)cc2c(n1)cc(cc2)OC)N1CCOCC1
• Canonical SMILES: COc1ccc2c(c1)nc(c(c2)CN(C(=O)Cc1ccc(cc1)F)CCCN1CCCC1=O)N1CCOCC1
• InChI: InChI=1S/C30H35FN4O4/c1-38-26-10-7-23-19-24(30(32-27(23)20-26)34-14-16-39-17-15-34)21-35(13-3-12-33-11-2-4-28(33)36)29(37)18-22-5-8-25(31)9-6-22/h5-10,19-20H,2-4,11-18,21H2,1H3
• InChIKey: QNYQARMSGTXORB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenyl)-N-{[7-methoxy-2-(morpholin-4-yl)quinolin-3-yl]methyl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
• IUPAC Traditional name: 2-(4-fluorophenyl)-N-{[7-methoxy-2-(morpholin-4-yl)quinolin-3-yl]methyl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
• Synonyms: 2-(4-fluorophenyl)-N-{[7-methoxy-2-(4-morpholinyl)-3-quinolinyl]methyl}-N-[3-(2-oxo-1-pyrrolidinyl)propyl]acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.6559448
• LogD (pH = 7.4): 3.1238742
• Log P: 3.1350646
• Molar Refractivity: 148.0623 cm^3
• Polarizability: 57.270237 Å^3
• Polar Surface Area: 75.21 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.94
• LOG S: -4.31
• Polar Surface Area: 75.21 Å^2
• Rotatable Bonds: 9