N-(furan-2-ylmethyl)-3,5-dimethoxy-N-{[2-(morpholin-4-yl)-6H,7H,8H-cyclopenta[g]quinolin-3-yl]methyl}benzamide

• ChemBase ID: 523821
• Molecular Formular: C31H33N3O5
• Molecular Mass: 527.61082
• Monoisotopic Mass: 527.24202117
• SMILES: c1(c(CN(C(=O)c2cc(cc(c2)OC)OC)Cc2occc2)cc2c(n1)cc1c(c2)CCC1)N1CCOCC1
• Canonical SMILES: COc1cc(OC)cc(c1)C(=O)N(Cc1cc2cc3CCCc3cc2nc1N1CCOCC1)Cc1ccco1
• InChI: InChI=1S/C31H33N3O5/c1-36-27-15-24(16-28(18-27)37-2)31(35)34(20-26-7-4-10-39-26)19-25-14-23-13-21-5-3-6-22(21)17-29(23)32-30(25)33-8-11-38-12-9-33/h4,7,10,13-18H,3,5-6,8-9,11-12,19-20H2,1-2H3
• InChIKey: CGSRUHLOTKFNRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-2-ylmethyl)-3,5-dimethoxy-N-{[2-(morpholin-4-yl)-6H,7H,8H-cyclopenta[g]quinolin-3-yl]methyl}benzamide
• IUPAC Traditional name: N-(furan-2-ylmethyl)-3,5-dimethoxy-N-{[2-(morpholin-4-yl)-6H,7H,8H-cyclopenta[g]quinolin-3-yl]methyl}benzamide
• Synonyms: N-(2-furylmethyl)-3,5-dimethoxy-N-{[2-(4-morpholinyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl}benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 4.59328
• LogD (pH = 7.4): 5.1015053
• Log P: 5.11443
• Molar Refractivity: 150.0914 cm^3
• Polarizability: 57.636894 Å^3
• Polar Surface Area: 77.27 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 5.02
• LOG S: -6.18
• Polar Surface Area: 77.27 Å^2
• Rotatable Bonds: 6