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

• ChemBase ID: 730610
• Molecular Formular: C32H35N3O5
• Molecular Mass: 541.6374
• Monoisotopic Mass: 541.25767124
• SMILES: c1(c(CN(C(=O)Cc2c(ccc(c2)OC)OC)Cc2occc2)cc2c(n1)cc1c(c2)CCC1)N1CCOCC1
• Canonical SMILES: COc1ccc(cc1CC(=O)N(Cc1cc2cc3CCCc3cc2nc1N1CCOCC1)Cc1ccco1)OC
• InChI: InChI=1S/C32H35N3O5/c1-37-27-8-9-30(38-2)25(17-27)19-31(36)35(21-28-7-4-12-40-28)20-26-16-24-15-22-5-3-6-23(22)18-29(24)33-32(26)34-10-13-39-14-11-34/h4,7-9,12,15-18H,3,5-6,10-11,13-14,19-21H2,1-2H3
• InChIKey: PWTPEPJHQNJRTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 4.573394
• LogD (pH = 7.4): 5.0816684
• Log P: 5.094595
• Molar Refractivity: 154.1428 cm^3
• Polarizability: 59.69362 Å^3
• Polar Surface Area: 77.27 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 4.95
• LOG S: -5.95
• Polar Surface Area: 77.27 Å^2
• Rotatable Bonds: 7