8-(dimethoxy-1,3,5-triazin-2-yl)quinoline

• ChemBase ID: 572275
• Molecular Formular: C14H12N4O2
• Molecular Mass: 268.27068
• Monoisotopic Mass: 268.09602564
• SMILES: c1(nc(nc(n1)OC)OC)c1c2ncccc2ccc1
• Canonical SMILES: COc1nc(OC)nc(n1)c1cccc2c1nccc2
• InChI: InChI=1S/C14H12N4O2/c1-19-13-16-12(17-14(18-13)20-2)10-7-3-5-9-6-4-8-15-11(9)10/h3-8H,1-2H3
• InChIKey: ODHPJEPTJATUJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(dimethoxy-1,3,5-triazin-2-yl)quinoline
• IUPAC Traditional name: 8-(dimethoxy-1,3,5-triazin-2-yl)quinoline
• Synonyms: 8-(4,6-dimethoxy-1,3,5-triazin-2-yl)quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 3.165743
• LogD (pH = 7.4): 3.168242
• Log P: 3.168274
• Molar Refractivity: 84.6724 cm^3
• Polarizability: 29.605995 Å^3
• Polar Surface Area: 70.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.7
• LOG S: -3.47
• Polar Surface Area: 70.02 Å^2
• Rotatable Bonds: 3