N-{[2-(morpholin-4-yl)-6H,7H,8H-cyclopenta[g]quinolin-3-yl]methyl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]furan-2-carboxamide

• ChemBase ID: 849132
• Molecular Formular: C29H34N4O4
• Molecular Mass: 502.60466
• Monoisotopic Mass: 502.25800559
• SMILES: c1(c(CN(C(=O)c2occc2)CCCN2C(=O)CCC2)cc2c(n1)cc1c(c2)CCC1)N1CCOCC1
• Canonical SMILES: O=C(N(Cc1cc2cc3CCCc3cc2nc1N1CCOCC1)CCCN1CCCC1=O)c1ccco1
• InChI: InChI=1S/C29H34N4O4/c34-27-8-2-9-31(27)10-4-11-33(29(35)26-7-3-14-37-26)20-24-18-23-17-21-5-1-6-22(21)19-25(23)30-28(24)32-12-15-36-16-13-32/h3,7,14,17-19H,1-2,4-6,8-13,15-16,20H2
• InChIKey: ZPZXIPYSMOZRJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(morpholin-4-yl)-6H,7H,8H-cyclopenta[g]quinolin-3-yl]methyl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]furan-2-carboxamide
• IUPAC Traditional name: N-{[2-(morpholin-4-yl)-6H,7H,8H-cyclopenta[g]quinolin-3-yl]methyl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]furan-2-carboxamide
• Synonyms: N-{[2-(4-morpholinyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl}-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-2-furamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.7165906
• LogD (pH = 7.4): 3.2248735
• Log P: 3.2378006
• Molar Refractivity: 142.6034 cm^3
• Polarizability: 54.550358 Å^3
• Polar Surface Area: 79.12 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.83
• LOG S: -4.68
• Polar Surface Area: 79.12 Å^2
• Rotatable Bonds: 8