2-{[2-(pyridin-2-yl)pyrrolidin-1-yl]methyl}quinolin-8-ol

• ChemBase ID: 690666
• Molecular Formular: C19H19N3O
• Molecular Mass: 305.37366
• Monoisotopic Mass: 305.15281224
• SMILES: N1(C(c2ncccc2)CCC1)Cc1nc2c(O)cccc2cc1
• Canonical SMILES: Oc1cccc2c1nc(cc2)CN1CCCC1c1ccccn1
• InChI: InChI=1S/C19H19N3O/c23-18-8-3-5-14-9-10-15(21-19(14)18)13-22-12-4-7-17(22)16-6-1-2-11-20-16/h1-3,5-6,8-11,17,23H,4,7,12-13H2
• InChIKey: BYMWITQZLUWLNG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[2-(pyridin-2-yl)pyrrolidin-1-yl]methyl}quinolin-8-ol
• IUPAC Traditional name: 2-{[2-(pyridin-2-yl)pyrrolidin-1-yl]methyl}quinolin-8-ol
• Synonyms: 2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]quinolin-8-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.316209
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.8576537
• LogD (pH = 7.4): 2.9763076
• Log P: 3.05623
• Molar Refractivity: 89.2005 cm^3
• Polarizability: 36.299866 Å^3
• Polar Surface Area: 49.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.78
• LOG S: -0.06
• Polar Surface Area: 49.25 Å^2
• Rotatable Bonds: 3