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

• ChemBase ID: 392760
• Molecular Formular: C27H33N3O
• Molecular Mass: 415.57042
• Monoisotopic Mass: 415.26236269
• SMILES: n1c(c(CN(C(=O)CC)CCN(C)C)cc2c1cc1c(c2)CCC1)c1cc(ccc1)C
• Canonical SMILES: CCC(=O)N(Cc1cc2cc3CCCc3cc2nc1c1cccc(c1)C)CCN(C)C
• InChI: InChI=1S/C27H33N3O/c1-5-26(31)30(13-12-29(3)4)18-24-16-23-15-20-9-7-10-21(20)17-25(23)28-27(24)22-11-6-8-19(2)14-22/h6,8,11,14-17H,5,7,9-10,12-13,18H2,1-4H3
• InChIKey: NUVMMCXZAHSJSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.7056692
• LogD (pH = 7.4): 4.4735265
• Log P: 5.5725546
• Molar Refractivity: 128.1258 cm^3
• Polarizability: 51.90985 Å^3
• Polar Surface Area: 36.44 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: 5.41
• LOG S: -4.71
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 5