N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-4-(1H-pyrazol-4-yl)butanamide

• ChemBase ID: 788583
• Molecular Formular: C19H22N4O2
• Molecular Mass: 338.40358
• Monoisotopic Mass: 338.17427596
• SMILES: c1(c2c(nccc2)c(cc1)OC)CN(C(=O)CCCc1c[nH]nc1)C
• Canonical SMILES: COc1ccc(c2c1nccc2)CN(C(=O)CCCc1c[nH]nc1)C
• InChI: InChI=1S/C19H22N4O2/c1-23(18(24)7-3-5-14-11-21-22-12-14)13-15-8-9-17(25-2)19-16(15)6-4-10-20-19/h4,6,8-12H,3,5,7,13H2,1-2H3,(H,21,22)
• InChIKey: QSSBEEZNMWZWTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-4-(1H-pyrazol-4-yl)butanamide
• IUPAC Traditional name: N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-4-(1H-pyrazol-4-yl)butanamide
• Synonyms: N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-4-(1H-pyrazol-4-yl)butanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.3182
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.1686022
• LogD (pH = 7.4): 2.1691742
• Log P: 2.1691813
• Molar Refractivity: 96.8677 cm^3
• Polarizability: 38.1225 Å^3
• Polar Surface Area: 71.11 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.37
• LOG S: -2.84
• Polar Surface Area: 71.11 Å^2
• Rotatable Bonds: 7