N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-3-(trimethyl-1H-pyrazol-4-yl)propanamide

• ChemBase ID: 405559
• Molecular Formular: C21H26N4O2
• Molecular Mass: 366.45674
• Monoisotopic Mass: 366.20557609
• SMILES: n1n(c(c(c1C)CCC(=O)N(Cc1c2c(nccc2)c(cc1)OC)C)C)C
• Canonical SMILES: COc1ccc(c2c1nccc2)CN(C(=O)CCc1c(C)nn(c1C)C)C
• InChI: InChI=1S/C21H26N4O2/c1-14-17(15(2)25(4)23-14)9-11-20(26)24(3)13-16-8-10-19(27-5)21-18(16)7-6-12-22-21/h6-8,10,12H,9,11,13H2,1-5H3
• InChIKey: YKQFWOXRTRLZKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-3-(trimethyl-1H-pyrazol-4-yl)propanamide
• IUPAC Traditional name: N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-3-(trimethylpyrazol-4-yl)propanamide
• Synonyms: N-[(8-methoxy-5-quinolinyl)methyl]-N-methyl-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.1762648
• LogD (pH = 7.4): 2.179183
• Log P: 2.1792204
• Molar Refractivity: 117.2239 cm^3
• Polarizability: 41.566864 Å^3
• Polar Surface Area: 60.25 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.74
• LOG S: -3.36
• Polar Surface Area: 60.25 Å^2
• Rotatable Bonds: 6