N-[(8-methoxyquinolin-5-yl)methyl]-N,1-dimethyl-6-oxo-1,6-dihydropyridazine-3-carboxamide

• ChemBase ID: 497970
• Molecular Formular: C18H18N4O3
• Molecular Mass: 338.36052
• Monoisotopic Mass: 338.13789046
• SMILES: c1(nn(c(=O)cc1)C)C(=O)N(Cc1c2c(nccc2)c(cc1)OC)C
• Canonical SMILES: COc1ccc(c2c1nccc2)CN(C(=O)c1ccc(=O)n(n1)C)C
• InChI: InChI=1S/C18H18N4O3/c1-21(18(24)14-7-9-16(23)22(2)20-14)11-12-6-8-15(25-3)17-13(12)5-4-10-19-17/h4-10H,11H2,1-3H3
• InChIKey: QWIPXMLDSDAPOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(8-methoxyquinolin-5-yl)methyl]-N,1-dimethyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
• IUPAC Traditional name: N-[(8-methoxyquinolin-5-yl)methyl]-N,1-dimethyl-6-oxopyridazine-3-carboxamide
• Synonyms: N-[(8-methoxyquinolin-5-yl)methyl]-N,1-dimethyl-6-oxo-1,6-dihydropyridazine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.2508032
• LogD (pH = 7.4): 1.2512331
• Log P: 1.2512386
• Molar Refractivity: 93.7417 cm^3
• Polarizability: 36.366047 Å^3
• Polar Surface Area: 75.1 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.21
• LOG S: -2.8
• Polar Surface Area: 77.32 Å^2
• Rotatable Bonds: 4