1-(1-{4-methyl-6H,7H,8H-cyclopenta[g]quinazolin-2-yl}piperidine-4-carbonyl)-3-phenylpiperidine

• ChemBase ID: 323157
• Molecular Formular: C29H34N4O
• Molecular Mass: 454.60646
• Monoisotopic Mass: 454.27326173
• SMILES: c1(nc2c(c(n1)C)cc1c(c2)CCC1)N1CCC(C(=O)N2CC(c3ccccc3)CCC2)CC1
• Canonical SMILES: O=C(N1CCCC(C1)c1ccccc1)C1CCN(CC1)c1nc(C)c2c(n1)cc1c(c2)CCC1
• InChI: InChI=1S/C29H34N4O/c1-20-26-17-23-9-5-10-24(23)18-27(26)31-29(30-20)32-15-12-22(13-16-32)28(34)33-14-6-11-25(19-33)21-7-3-2-4-8-21/h2-4,7-8,17-18,22,25H,5-6,9-16,19H2,1H3
• InChIKey: JLRAKRFDUKYCDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-{4-methyl-6H,7H,8H-cyclopenta[g]quinazolin-2-yl}piperidine-4-carbonyl)-3-phenylpiperidine
• IUPAC Traditional name: 1-(1-{4-methyl-6H,7H,8H-cyclopenta[g]quinazolin-2-yl}piperidine-4-carbonyl)-3-phenylpiperidine
• Synonyms: 4-methyl-2-{4-[(3-phenyl-1-piperidinyl)carbonyl]-1-piperidinyl}-7,8-dihydro-6H-cyclopenta[g]quinazoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.2434335
• LogD (pH = 7.4): 5.4109817
• Log P: 5.4136114
• Molar Refractivity: 137.3539 cm^3
• Polarizability: 53.222404 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.9
• LOG S: -7.93
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 3