8-[6-(piperidine-1-carbonyl)pyrazin-2-yl]quinoline

• ChemBase ID: 859583
• Molecular Formular: C19H18N4O
• Molecular Mass: 318.37242
• Monoisotopic Mass: 318.14806122
• SMILES: c1(nc(c2c3ncccc3ccc2)cnc1)C(=O)N1CCCCC1
• Canonical SMILES: O=C(c1cncc(n1)c1cccc2c1nccc2)N1CCCCC1
• InChI: InChI=1S/C19H18N4O/c24-19(23-10-2-1-3-11-23)17-13-20-12-16(22-17)15-8-4-6-14-7-5-9-21-18(14)15/h4-9,12-13H,1-3,10-11H2
• InChIKey: YCDAYBGTPAQIAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[6-(piperidine-1-carbonyl)pyrazin-2-yl]quinoline
• IUPAC Traditional name: 8-[6-(piperidine-1-carbonyl)pyrazin-2-yl]quinoline
• Synonyms: 8-[6-(piperidin-1-ylcarbonyl)pyrazin-2-yl]quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.2578776
• LogD (pH = 7.4): 2.2627773
• Log P: 2.2628403
• Molar Refractivity: 91.0715 cm^3
• Polarizability: 37.478374 Å^3
• Polar Surface Area: 58.98 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.08
• LOG S: -2.44
• Polar Surface Area: 58.98 Å^2
• Rotatable Bonds: 2