5-(2,4-dimethoxypyrimidin-5-yl)-8-methoxyquinoline

• ChemBase ID: 562987
• Molecular Formular: C16H15N3O3
• Molecular Mass: 297.3086
• Monoisotopic Mass: 297.11134136
• SMILES: c1(c(nc(nc1)OC)OC)c1c2c(nccc2)c(cc1)OC
• Canonical SMILES: COc1ncc(c(n1)OC)c1ccc(c2c1cccn2)OC
• InChI: InChI=1S/C16H15N3O3/c1-20-13-7-6-10(11-5-4-8-17-14(11)13)12-9-18-16(22-3)19-15(12)21-2/h4-9H,1-3H3
• InChIKey: XODOUZMWJDOOPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2,4-dimethoxypyrimidin-5-yl)-8-methoxyquinoline
• IUPAC Traditional name: 5-(2,4-dimethoxypyrimidin-5-yl)-8-methoxyquinoline
• Synonyms: 5-(2,4-dimethoxy-5-pyrimidinyl)-8-methoxyquinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.6540954
• LogD (pH = 7.4): 2.6548357
• Log P: 2.6548452
• Molar Refractivity: 81.4289 cm^3
• Polarizability: 33.687443 Å^3
• Polar Surface Area: 66.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 3.12
• LOG S: -4.04
• Polar Surface Area: 66.36 Å^2
• Rotatable Bonds: 4