N-methyl-2-(2-methyl-4-oxo-1,4-dihydroquinolin-1-yl)-N-[3-(1H-pyrazol-1-yl)propyl]acetamide

• ChemBase ID: 488741
• Molecular Formular: C19H22N4O2
• Molecular Mass: 338.40358
• Monoisotopic Mass: 338.17427596
• SMILES: n1(c(cc(=O)c2c1cccc2)C)CC(=O)N(CCCn1nccc1)C
• Canonical SMILES: O=C(N(CCCn1cccn1)C)Cn1c(C)cc(=O)c2c1cccc2
• InChI: InChI=1S/C19H22N4O2/c1-15-13-18(24)16-7-3-4-8-17(16)23(15)14-19(25)21(2)10-6-12-22-11-5-9-20-22/h3-5,7-9,11,13H,6,10,12,14H2,1-2H3
• InChIKey: LZKIVYYOXDWGLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-(2-methyl-4-oxo-1,4-dihydroquinolin-1-yl)-N-[3-(1H-pyrazol-1-yl)propyl]acetamide
• IUPAC Traditional name: N-methyl-2-(2-methyl-4-oxoquinolin-1-yl)-N-[3-(pyrazol-1-yl)propyl]acetamide
• Synonyms: N-methyl-2-(2-methyl-4-oxoquinolin-1(4H)-yl)-N-[3-(1H-pyrazol-1-yl)propyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.983011
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.3957313
• LogD (pH = 7.4): 1.3958669
• Log P: 1.3958685
• Molar Refractivity: 110.6306 cm^3
• Polarizability: 36.572556 Å^3
• Polar Surface Area: 58.44 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.48
• LOG S: -2.93
• Polar Surface Area: 60.13 Å^2
• Rotatable Bonds: 6