N-{[7-methoxy-2-(morpholin-4-yl)quinolin-3-yl]methyl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxolane-2-carboxamide

• ChemBase ID: 817351
• Molecular Formular: C27H36N4O5
• Molecular Mass: 496.59854
• Monoisotopic Mass: 496.26857027
• SMILES: c1(c(CN(C(=O)C2OCCC2)CCCN2C(=O)CCC2)cc2c(n1)cc(cc2)OC)N1CCOCC1
• Canonical SMILES: COc1ccc2c(c1)nc(c(c2)CN(C(=O)C1CCCO1)CCCN1CCCC1=O)N1CCOCC1
• InChI: InChI=1S/C27H36N4O5/c1-34-22-8-7-20-17-21(26(28-23(20)18-22)30-12-15-35-16-13-30)19-31(27(33)24-5-3-14-36-24)11-4-10-29-9-2-6-25(29)32/h7-8,17-18,24H,2-6,9-16,19H2,1H3
• InChIKey: FJXLVRKPXDFPTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[7-methoxy-2-(morpholin-4-yl)quinolin-3-yl]methyl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxolane-2-carboxamide
• IUPAC Traditional name: N-{[7-methoxy-2-(morpholin-4-yl)quinolin-3-yl]methyl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxolane-2-carboxamide
• Synonyms: N-{[7-methoxy-2-(4-morpholinyl)-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): 1.1225412
• LogD (pH = 7.4): 1.5904648
• Log P: 1.601655
• Molar Refractivity: 136.8637 cm^3
• Polarizability: 53.517597 Å^3
• Polar Surface Area: 84.44 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.94
• LOG S: -1.9
• Polar Surface Area: 84.44 Å^2
• Rotatable Bonds: 8