N-cyclopropyl-N-{[2-(2,3-dimethoxyphenyl)-6H,7H,8H-cyclopenta[g]quinolin-3-yl]methyl}-3-(3,5-dimethyl-1H-pyrazol-1-yl)propanamide

• ChemBase ID: 650909
• Molecular Formular: C32H36N4O3
• Molecular Mass: 524.65324
• Monoisotopic Mass: 524.27874103
• SMILES: c1(nc2c(cc1CN(C(=O)CCn1nc(cc1C)C)C1CC1)cc1c(c2)CCC1)c1c(c(OC)ccc1)OC
• Canonical SMILES: COc1c(OC)cccc1c1nc2cc3CCCc3cc2cc1CN(C(=O)CCn1nc(cc1C)C)C1CC1
• InChI: InChI=1S/C32H36N4O3/c1-20-15-21(2)36(34-20)14-13-30(37)35(26-11-12-26)19-25-17-24-16-22-7-5-8-23(22)18-28(24)33-31(25)27-9-6-10-29(38-3)32(27)39-4/h6,9-10,15-18,26H,5,7-8,11-14,19H2,1-4H3
• InChIKey: IQIYSFMGFDYNOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-N-{[2-(2,3-dimethoxyphenyl)-6H,7H,8H-cyclopenta[g]quinolin-3-yl]methyl}-3-(3,5-dimethyl-1H-pyrazol-1-yl)propanamide
• IUPAC Traditional name: N-cyclopropyl-N-{[2-(2,3-dimethoxyphenyl)-6H,7H,8H-cyclopenta[g]quinolin-3-yl]methyl}-3-(3,5-dimethylpyrazol-1-yl)propanamide
• Synonyms: N-cyclopropyl-N-{[2-(2,3-dimethoxyphenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl}-3-(3,5-dimethyl-1H-pyrazol-1-yl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 5.15561
• LogD (pH = 7.4): 5.1604915
• Log P: 5.160554
• Molar Refractivity: 163.4191 cm^3
• Polarizability: 60.896114 Å^3
• Polar Surface Area: 69.48 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 4.3
• LOG S: -7.23
• Polar Surface Area: 69.48 Å^2
• Rotatable Bonds: 7