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

• ChemBase ID: 690381
• Molecular Formular: C25H34N4O4
• Molecular Mass: 454.56186
• Monoisotopic Mass: 454.25800559
• SMILES: c1(c(CN(C(=O)CC)CCCN2C(=O)CCC2)cc2c(n1)cc(cc2)OC)N1CCOCC1
• Canonical SMILES: CCC(=O)N(Cc1cc2ccc(cc2nc1N1CCOCC1)OC)CCCN1CCCC1=O
• InChI: InChI=1S/C25H34N4O4/c1-3-23(30)29(11-5-10-27-9-4-6-24(27)31)18-20-16-19-7-8-21(32-2)17-22(19)26-25(20)28-12-14-33-15-13-28/h7-8,16-17H,3-6,9-15,18H2,1-2H3
• InChIKey: WSVLFLLHHILQKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.3794379
• LogD (pH = 7.4): 1.8473682
• Log P: 1.8585587
• Molar Refractivity: 127.7509 cm^3
• Polarizability: 49.862267 Å^3
• Polar Surface Area: 75.21 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.75
• LOG S: -1.55
• Polar Surface Area: 75.21 Å^2
• Rotatable Bonds: 7