1-cyclopentyl-N-{2-[(2-methylquinolin-8-yl)oxy]ethyl}-5-oxopyrrolidine-3-carboxamide

• ChemBase ID: 598351
• Molecular Formular: C22H27N3O3
• Molecular Mass: 381.46808
• Monoisotopic Mass: 381.20524174
• SMILES: N1(C(=O)CC(C1)C(=O)NCCOc1c2nc(ccc2ccc1)C)C1CCCC1
• Canonical SMILES: O=C(C1CC(=O)N(C1)C1CCCC1)NCCOc1cccc2c1nc(C)cc2
• InChI: InChI=1S/C22H27N3O3/c1-15-9-10-16-5-4-8-19(21(16)24-15)28-12-11-23-22(27)17-13-20(26)25(14-17)18-6-2-3-7-18/h4-5,8-10,17-18H,2-3,6-7,11-14H2,1H3,(H,23,27)
• InChIKey: SBNVXLXJNNGHQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentyl-N-{2-[(2-methylquinolin-8-yl)oxy]ethyl}-5-oxopyrrolidine-3-carboxamide
• IUPAC Traditional name: 1-cyclopentyl-N-{2-[(2-methylquinolin-8-yl)oxy]ethyl}-5-oxopyrrolidine-3-carboxamide
• Synonyms: 1-cyclopentyl-N-{2-[(2-methyl-8-quinolinyl)oxy]ethyl}-5-oxo-3-pyrrolidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.539594
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.7233264
• LogD (pH = 7.4): 1.7271792
• Log P: 1.7272285
• Molar Refractivity: 105.4376 cm^3
• Polarizability: 42.44229 Å^3
• Polar Surface Area: 71.53 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.75
• LOG S: -3.48
• Polar Surface Area: 71.53 Å^2
• Rotatable Bonds: 6