N-methyl-N-[1-({2-oxo-1H,2H,6H,7H,8H-cyclopenta[g]quinolin-3-yl}methyl)pyrrolidin-3-yl]acetamide

• ChemBase ID: 655530
• Molecular Formular: C20H25N3O2
• Molecular Mass: 339.4314
• Monoisotopic Mass: 339.19467706
• SMILES: c1(c(=O)[nH]c2c(c1)cc1c(c2)CCC1)CN1CC(N(C(=O)C)C)CC1
• Canonical SMILES: CC(=O)N(C1CCN(C1)Cc1cc2cc3CCCc3cc2[nH]c1=O)C
• InChI: InChI=1S/C20H25N3O2/c1-13(24)22(2)18-6-7-23(12-18)11-17-9-16-8-14-4-3-5-15(14)10-19(16)21-20(17)25/h8-10,18H,3-7,11-12H2,1-2H3,(H,21,25)
• InChIKey: NXYWCKBRDDQHSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[1-({2-oxo-1H,2H,6H,7H,8H-cyclopenta[g]quinolin-3-yl}methyl)pyrrolidin-3-yl]acetamide
• IUPAC Traditional name: N-methyl-N-[1-({2-oxo-1H,6H,7H,8H-cyclopenta[g]quinolin-3-yl}methyl)pyrrolidin-3-yl]acetamide
• Synonyms: N-methyl-N-{1-[(2-oxo-2,6,7,8-tetrahydro-1H-cyclopenta[g]quinolin-3-yl)methyl]pyrrolidin-3-yl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.825505
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.94844764
• LogD (pH = 7.4): 0.82409614
• Log P: 1.6220945
• Molar Refractivity: 100.8759 cm^3
• Polarizability: 37.52729 Å^3
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.03
• LOG S: -3.41
• Polar Surface Area: 56.41 Å^2
• Rotatable Bonds: 3