1-ethyl-N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-1H-pyrazole-5-carboxamide

• ChemBase ID: 828803
• Molecular Formular: C18H20N4O2
• Molecular Mass: 324.377
• Monoisotopic Mass: 324.1586259
• SMILES: c1(C(=O)N(Cc2c3c(nccc3)c(cc2)OC)C)n(ncc1)CC
• Canonical SMILES: COc1ccc(c2c1nccc2)CN(C(=O)c1ccnn1CC)C
• InChI: InChI=1S/C18H20N4O2/c1-4-22-15(9-11-20-22)18(23)21(2)12-13-7-8-16(24-3)17-14(13)6-5-10-19-17/h5-11H,4,12H2,1-3H3
• InChIKey: XWNMMNFMYHJQMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
• IUPAC Traditional name: 2-ethyl-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylpyrazole-3-carboxamide
• Synonyms: 1-ethyl-N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-1H-pyrazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.6999146
• LogD (pH = 7.4): 1.7003583
• Log P: 1.7003639
• Molar Refractivity: 103.4564 cm^3
• Polarizability: 35.987206 Å^3
• Polar Surface Area: 60.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.11
• LOG S: -2.97
• Polar Surface Area: 60.25 Å^2
• Rotatable Bonds: 5