N-{[2-(dimethylamino)-6H,7H,8H-cyclopenta[g]quinolin-3-yl]methyl}-N-[2-(dimethylamino)ethyl]-4-methylbenzamide

• ChemBase ID: 499105
• Molecular Formular: C27H34N4O
• Molecular Mass: 430.58506
• Monoisotopic Mass: 430.27326173
• SMILES: c1(c(nc2c(c1)cc1c(c2)CCC1)N(C)C)CN(C(=O)c1ccc(cc1)C)CCN(C)C
• Canonical SMILES: CN(CCN(C(=O)c1ccc(cc1)C)Cc1cc2cc3CCCc3cc2nc1N(C)C)C
• InChI: InChI=1S/C27H34N4O/c1-19-9-11-20(12-10-19)27(32)31(14-13-29(2)3)18-24-16-23-15-21-7-6-8-22(21)17-25(23)28-26(24)30(4)5/h9-12,15-17H,6-8,13-14,18H2,1-5H3
• InChIKey: ZZPVJQSROJMISD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(dimethylamino)-6H,7H,8H-cyclopenta[g]quinolin-3-yl]methyl}-N-[2-(dimethylamino)ethyl]-4-methylbenzamide
• IUPAC Traditional name: N-{[2-(dimethylamino)-6H,7H,8H-cyclopenta[g]quinolin-3-yl]methyl}-N-[2-(dimethylamino)ethyl]-4-methylbenzamide
• Synonyms: N-{[2-(dimethylamino)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl}-N-[2-(dimethylamino)ethyl]-4-methylbenzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9411346
• LogD (pH = 7.4): 4.2804756
• Log P: 5.395619
• Molar Refractivity: 134.1473 cm^3
• Polarizability: 51.373695 Å^3
• Polar Surface Area: 39.68 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 5.82
• LOG S: -4.46
• Polar Surface Area: 39.68 Å^2
• Rotatable Bonds: 5