6-methyl-2-{octahydro-1H-pyrido[1,2-a]piperazin-2-ylmethyl}quinolin-4-ol

• ChemBase ID: 611451
• Molecular Formular: C19H25N3O
• Molecular Mass: 311.4213
• Monoisotopic Mass: 311.19976244
• SMILES: c12c(nc(cc1O)CN1CC3N(CC1)CCCC3)ccc(c2)C
• Canonical SMILES: Cc1ccc2c(c1)c(O)cc(n2)CN1CCN2C(C1)CCCC2
• InChI: InChI=1S/C19H25N3O/c1-14-5-6-18-17(10-14)19(23)11-15(20-18)12-21-8-9-22-7-3-2-4-16(22)13-21/h5-6,10-11,16H,2-4,7-9,12-13H2,1H3,(H,20,23)
• InChIKey: PESLMYBAUHJIFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-2-{octahydro-1H-pyrido[1,2-a]piperazin-2-ylmethyl}quinolin-4-ol
• IUPAC Traditional name: 6-methyl-2-{octahydropyrido[1,2-a]piperazin-2-ylmethyl}quinolin-4-ol
• Synonyms: 6-methyl-2-(octahydro-2H-pyrido[1,2-a]pyrazin-2-ylmethyl)quinolin-4-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.515254
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.056146342
• LogD (pH = 7.4): 1.7452863
• Log P: 3.120878
• Molar Refractivity: 92.8842 cm^3
• Polarizability: 37.52707 Å^3
• Polar Surface Area: 39.6 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.8
• LOG S: -2.85
• Polar Surface Area: 39.6 Å^2
• Rotatable Bonds: 2