N-cyclopropyl-N-{[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl}-3-(3,5-dimethyl-1H-pyrazol-1-yl)propanamide

• ChemBase ID: 685572
• Molecular Formular: C30H34N4O3
• Molecular Mass: 498.61596
• Monoisotopic Mass: 498.26309097
• SMILES: n1(nc(cc1C)C)CCC(=O)N(Cc1c(nc2c(c1)ccc(c2)C)c1cc(c(cc1)OC)OC)C1CC1
• Canonical SMILES: COc1ccc(cc1OC)c1nc2cc(C)ccc2cc1CN(C(=O)CCn1nc(cc1C)C)C1CC1
• InChI: InChI=1S/C30H34N4O3/c1-19-6-7-22-16-24(30(31-26(22)14-19)23-8-11-27(36-4)28(17-23)37-5)18-33(25-9-10-25)29(35)12-13-34-21(3)15-20(2)32-34/h6-8,11,14-17,25H,9-10,12-13,18H2,1-5H3
• InChIKey: GCVVHLPIMXWQPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-N-{[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl}-3-(3,5-dimethyl-1H-pyrazol-1-yl)propanamide
• IUPAC Traditional name: N-cyclopropyl-N-{[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl}-3-(3,5-dimethylpyrazol-1-yl)propanamide
• Synonyms: N-cyclopropyl-N-{[2-(3,4-dimethoxyphenyl)-7-methyl-3-quinolinyl]methyl}-3-(3,5-dimethyl-1H-pyrazol-1-yl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.650968
• LogD (pH = 7.4): 4.6660943
• Log P: 4.66629
• Molar Refractivity: 155.5791 cm^3
• Polarizability: 58.017696 Å^3
• Polar Surface Area: 69.48 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 4.35
• LOG S: -6.31
• Polar Surface Area: 69.48 Å^2
• Rotatable Bonds: 7