1-[2-({4-methyl-6H,7H,8H-cyclopenta[g]quinolin-2-yl}amino)ethyl]piperidin-4-ol

• ChemBase ID: 480156
• Molecular Formular: C20H27N3O
• Molecular Mass: 325.44788
• Monoisotopic Mass: 325.2154125
• SMILES: c12nc(cc(c1cc1c(c2)CCC1)C)NCCN1CCC(CC1)O
• Canonical SMILES: OC1CCN(CC1)CCNc1cc(C)c2c(n1)cc1c(c2)CCC1
• InChI: InChI=1S/C20H27N3O/c1-14-11-20(21-7-10-23-8-5-17(24)6-9-23)22-19-13-16-4-2-3-15(16)12-18(14)19/h11-13,17,24H,2-10H2,1H3,(H,21,22)
• InChIKey: GXGFSPDKQFUTIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-({4-methyl-6H,7H,8H-cyclopenta[g]quinolin-2-yl}amino)ethyl]piperidin-4-ol
• IUPAC Traditional name: 1-[2-({4-methyl-6H,7H,8H-cyclopenta[g]quinolin-2-yl}amino)ethyl]piperidin-4-ol
• Synonyms: 1-{2-[(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)amino]ethyl}piperidin-4-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.179287
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.3833242
• LogD (pH = 7.4): 2.0131016
• Log P: 3.055947
• Molar Refractivity: 100.1524 cm^3
• Polarizability: 38.820423 Å^3
• Polar Surface Area: 48.39 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.35
• LOG S: -3.43
• Polar Surface Area: 48.39 Å^2
• Rotatable Bonds: 4