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

• ChemBase ID: 637834
• Molecular Formular: C28H36N4O5
• Molecular Mass: 508.60924
• Monoisotopic Mass: 508.26857027
• SMILES: c1(c(nc2c(c1)c(ccc2OC)OC)N1CCOCC1)CN(C(=O)C1N(C)CCCC1)Cc1occc1
• Canonical SMILES: COc1ccc(c2c1cc(CN(C(=O)C1CCCCN1C)Cc1ccco1)c(n2)N1CCOCC1)OC
• InChI: InChI=1S/C28H36N4O5/c1-30-11-5-4-8-23(30)28(33)32(19-21-7-6-14-37-21)18-20-17-22-24(34-2)9-10-25(35-3)26(22)29-27(20)31-12-15-36-16-13-31/h6-7,9-10,14,17,23H,4-5,8,11-13,15-16,18-19H2,1-3H3
• InChIKey: QIVJWFSDEOUNAF-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)-1-methylpiperidine-2-carboxamide
• IUPAC Traditional name: N-{[5,8-dimethoxy-2-(morpholin-4-yl)quinolin-3-yl]methyl}-N-(furan-2-ylmethyl)-1-methylpiperidine-2-carboxamide
• Synonyms: N-{[5,8-dimethoxy-2-(4-morpholinyl)-3-quinolinyl]methyl}-N-(2-furylmethyl)-1-methyl-2-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 1.3737776
• LogD (pH = 7.4): 2.9425294
• Log P: 3.2063906
• Molar Refractivity: 141.856 cm^3
• Polarizability: 55.480137 Å^3
• Polar Surface Area: 80.51 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 4.54
• LOG S: -2.26
• Polar Surface Area: 80.51 Å^2
• Rotatable Bonds: 6