N,2-dimethyl-2-{methyl[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}propanamide

• ChemBase ID: 673044
• Molecular Formular: C17H23N3O2
• Molecular Mass: 301.38342
• Monoisotopic Mass: 301.17902699
• SMILES: c1(c(=O)[nH]c2c(c1)ccc(c2)C)CN(C(C(=O)NC)(C)C)C
• Canonical SMILES: CNC(=O)C(N(Cc1cc2ccc(cc2[nH]c1=O)C)C)(C)C
• InChI: InChI=1S/C17H23N3O2/c1-11-6-7-12-9-13(15(21)19-14(12)8-11)10-20(5)17(2,3)16(22)18-4/h6-9H,10H2,1-5H3,(H,18,22)(H,19,21)
• InChIKey: FYFIXISPMDJZIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2-dimethyl-2-{methyl[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}propanamide
• IUPAC Traditional name: N,2-dimethyl-2-{methyl[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino}propanamide
• Synonyms: N~1~,N~2~,2-trimethyl-N~2~-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]alaninamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.554541
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.18933426
• LogD (pH = 7.4): 1.4596068
• Log P: 1.8303365
• Molar Refractivity: 90.1897 cm^3
• Polarizability: 33.53917 Å^3
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.92
• LOG S: -3.04
• Polar Surface Area: 65.2 Å^2
• Rotatable Bonds: 4