N-{[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxolane-2-carboxamide

• ChemBase ID: 577814
• Molecular Formular: C26H36N4O5
• Molecular Mass: 484.58784
• Monoisotopic Mass: 484.26857027
• SMILES: c1(c(nc2c(c1)c(ccc2OC)OC)N(C)C)CN(C(=O)C1OCCC1)CCCN1C(=O)CCC1
• Canonical SMILES: COc1ccc(c2c1cc(CN(C(=O)C1CCCO1)CCCN1CCCC1=O)c(n2)N(C)C)OC
• InChI: InChI=1S/C26H36N4O5/c1-28(2)25-18(16-19-20(33-3)10-11-21(34-4)24(19)27-25)17-30(26(32)22-8-6-15-35-22)14-7-13-29-12-5-9-23(29)31/h10-11,16,22H,5-9,12-15,17H2,1-4H3
• InChIKey: VRPHPFUOWJMBSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxolane-2-carboxamide
• IUPAC Traditional name: N-{[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxolane-2-carboxamide
• Synonyms: N-{[2-(dimethylamino)-5,8-dimethoxy-3-quinolinyl]methyl}-N-[3-(2-oxo-1-pyrrolidinyl)propyl]tetrahydro-2-furancarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.907658
• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 1.634787
• LogD (pH = 7.4): 1.6621239
• Log P: 1.6624842
• Molar Refractivity: 134.2524 cm^3
• Polarizability: 52.395527 Å^3
• Polar Surface Area: 84.44 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 3.58
• LOG S: -2.26
• Polar Surface Area: 84.44 Å^2
• Rotatable Bonds: 7