N-{[5,8-dimethoxy-2-(pyrrolidin-1-yl)quinolin-3-yl]methyl}-N-(furan-2-ylmethyl)-4-methoxybenzamide

• ChemBase ID: 574632
• Molecular Formular: C29H31N3O5
• Molecular Mass: 501.57354
• Monoisotopic Mass: 501.22637111
• SMILES: c1(c(nc2c(c1)c(ccc2OC)OC)N1CCCC1)CN(C(=O)c1ccc(cc1)OC)Cc1occc1
• Canonical SMILES: COc1ccc(cc1)C(=O)N(Cc1cc2c(OC)ccc(c2nc1N1CCCC1)OC)Cc1ccco1
• InChI: InChI=1S/C29H31N3O5/c1-34-22-10-8-20(9-11-22)29(33)32(19-23-7-6-16-37-23)18-21-17-24-25(35-2)12-13-26(36-3)27(24)30-28(21)31-14-4-5-15-31/h6-13,16-17H,4-5,14-15,18-19H2,1-3H3
• InChIKey: YVMFKMFQJZTWSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[5,8-dimethoxy-2-(pyrrolidin-1-yl)quinolin-3-yl]methyl}-N-(furan-2-ylmethyl)-4-methoxybenzamide
• IUPAC Traditional name: N-{[5,8-dimethoxy-2-(pyrrolidin-1-yl)quinolin-3-yl]methyl}-N-(furan-2-ylmethyl)-4-methoxybenzamide
• Synonyms: N-{[5,8-dimethoxy-2-(1-pyrrolidinyl)-3-quinolinyl]methyl}-N-(2-furylmethyl)-4-methoxybenzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 4.549538
• LogD (pH = 7.4): 4.5730624
• Log P: 4.573371
• Molar Refractivity: 142.1399 cm^3
• Polarizability: 54.830555 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: 5.55
• LOG S: -6.7
• Polar Surface Area: 77.27 Å^2
• Rotatable Bonds: 6