N-{[5,8-dimethoxy-2-(morpholin-4-yl)quinolin-3-yl]methyl}-N-(furan-2-ylmethyl)-2,3-dimethyl-1H-indole-5-carboxamide

• ChemBase ID: 831572
• Molecular Formular: C32H34N4O5
• Molecular Mass: 554.63616
• Monoisotopic Mass: 554.25292021
• SMILES: c1(c(nc2c(c1)c(ccc2OC)OC)N1CCOCC1)CN(C(=O)c1cc2c(c([nH]c2cc1)C)C)Cc1occc1
• Canonical SMILES: COc1ccc(c2c1cc(CN(C(=O)c1ccc3c(c1)c(C)c([nH]3)C)Cc1ccco1)c(n2)N1CCOCC1)OC
• InChI: InChI=1S/C32H34N4O5/c1-20-21(2)33-27-8-7-22(16-25(20)27)32(37)36(19-24-6-5-13-41-24)18-23-17-26-28(38-3)9-10-29(39-4)30(26)34-31(23)35-11-14-40-15-12-35/h5-10,13,16-17,33H,11-12,14-15,18-19H2,1-4H3
• InChIKey: GAUPDIRXSWRGSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[5,8-dimethoxy-2-(morpholin-4-yl)quinolin-3-yl]methyl}-N-(furan-2-ylmethyl)-2,3-dimethyl-1H-indole-5-carboxamide
• IUPAC Traditional name: N-{[5,8-dimethoxy-2-(morpholin-4-yl)quinolin-3-yl]methyl}-N-(furan-2-ylmethyl)-2,3-dimethyl-1H-indole-5-carboxamide
• Synonyms: N-{[5,8-dimethoxy-2-(4-morpholinyl)-3-quinolinyl]methyl}-N-(2-furylmethyl)-2,3-dimethyl-1H-indole-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.121109
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 4.896959
• LogD (pH = 7.4): 4.918211
• Log P: 4.918489
• Molar Refractivity: 158.4876 cm^3
• Polarizability: 61.738224 Å^3
• Polar Surface Area: 93.06 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 5.59
• LOG S: -6.88
• Polar Surface Area: 93.06 Å^2
• Rotatable Bonds: 6