5-(pyrimidin-5-yl)quinolin-8-ol

• ChemBase ID: 733078
• Molecular Formular: C13H9N3O
• Molecular Mass: 223.23006
• Monoisotopic Mass: 223.07456192
• SMILES: c1(c2c(nccc2)c(cc1)O)c1cncnc1
• Canonical SMILES: Oc1ccc(c2c1nccc2)c1cncnc1
• InChI: InChI=1S/C13H9N3O/c17-12-4-3-10(9-6-14-8-15-7-9)11-2-1-5-16-13(11)12/h1-8,17H
• InChIKey: VNZWAQWJGNPZAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(pyrimidin-5-yl)quinolin-8-ol
• IUPAC Traditional name: 5-(pyrimidin-5-yl)quinolin-8-ol
• Synonyms: 5-pyrimidin-5-ylquinolin-8-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.047891
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.4977067
• LogD (pH = 7.4): 1.5398729
• Log P: 1.5510502
• Molar Refractivity: 63.7607 cm^3
• Polarizability: 26.78724 Å^3
• Polar Surface Area: 58.9 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.6
• LOG S: -1.62
• Polar Surface Area: 58.9 Å^2
• Rotatable Bonds: 1