8-methoxy-5-[5-(piperidine-1-carbonyl)pyridin-2-yl]quinoline

• ChemBase ID: 861186
• Molecular Formular: C21H21N3O2
• Molecular Mass: 347.41034
• Monoisotopic Mass: 347.16337693
• SMILES: C(=O)(c1cnc(c2c3c(nccc3)c(cc2)OC)cc1)N1CCCCC1
• Canonical SMILES: COc1ccc(c2c1nccc2)c1ccc(cn1)C(=O)N1CCCCC1
• InChI: InChI=1S/C21H21N3O2/c1-26-19-10-8-16(17-6-5-11-22-20(17)19)18-9-7-15(14-23-18)21(25)24-12-3-2-4-13-24/h5-11,14H,2-4,12-13H2,1H3
• InChIKey: GJCTTYSMKGUAHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methoxy-5-[5-(piperidine-1-carbonyl)pyridin-2-yl]quinoline
• IUPAC Traditional name: 8-methoxy-5-[5-(piperidine-1-carbonyl)pyridin-2-yl]quinoline
• Synonyms: 8-methoxy-5-[5-(piperidin-1-ylcarbonyl)pyridin-2-yl]quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.9354851
• LogD (pH = 7.4): 2.9369721
• Log P: 2.936991
• Molar Refractivity: 100.0636 cm^3
• Polarizability: 40.877827 Å^3
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.59
• LOG S: -3.09
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 3