N-{[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl}-N-cyclopropyl-1,3-dimethyl-1H-pyrazole-5-carboxamide

• ChemBase ID: 617592
• Molecular Formular: C26H25ClN4O2
• Molecular Mass: 460.9553
• Monoisotopic Mass: 460.16660374
• SMILES: c1(C(=O)N(Cc2c(nc3c(c2)ccc(c3)OC)c2ccc(cc2)Cl)C2CC2)n(nc(c1)C)C
• Canonical SMILES: COc1ccc2c(c1)nc(c(c2)CN(C(=O)c1cc(nn1C)C)C1CC1)c1ccc(cc1)Cl
• InChI: InChI=1S/C26H25ClN4O2/c1-16-12-24(30(2)29-16)26(32)31(21-9-10-21)15-19-13-18-6-11-22(33-3)14-23(18)28-25(19)17-4-7-20(27)8-5-17/h4-8,11-14,21H,9-10,15H2,1-3H3
• InChIKey: UMCFQCHNBXNXCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl}-N-cyclopropyl-1,3-dimethyl-1H-pyrazole-5-carboxamide
• IUPAC Traditional name: N-{[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl}-N-cyclopropyl-2,5-dimethylpyrazole-3-carboxamide
• Synonyms: N-{[2-(4-chlorophenyl)-7-methoxy-3-quinolinyl]methyl}-N-cyclopropyl-1,3-dimethyl-1H-pyrazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.5663347
• LogD (pH = 7.4): 4.577467
• Log P: 4.577611
• Molar Refractivity: 140.0795 cm^3
• Polarizability: 51.67639 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: 5
• H Donor: 0
• Log P: 4.68
• LOG S: -5.86
• Polar Surface Area: 60.25 Å^2
• Rotatable Bonds: 5