2-(3,4-dimethoxyphenyl)quinoxaline

• ChemBase ID: 679634
• Molecular Formular: C16H14N2O2
• Molecular Mass: 266.29456
• Monoisotopic Mass: 266.1055277
• SMILES: n1c(c2cc(c(cc2)OC)OC)cnc2c1cccc2
• Canonical SMILES: COc1cc(ccc1OC)c1cnc2c(n1)cccc2
• InChI: InChI=1S/C16H14N2O2/c1-19-15-8-7-11(9-16(15)20-2)14-10-17-12-5-3-4-6-13(12)18-14/h3-10H,1-2H3
• InChIKey: VFBYCHZYTRSMLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,4-dimethoxyphenyl)quinoxaline
• IUPAC Traditional name: 2-(3,4-dimethoxyphenyl)quinoxaline
• Synonyms: 2-(3,4-dimethoxyphenyl)quinoxaline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.0167627
• LogD (pH = 7.4): 3.016811
• Log P: 3.0168116
• Molar Refractivity: 75.141 cm^3
• Polarizability: 32.117947 Å^3
• Polar Surface Area: 44.24 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: 3.13
• LOG S: -3.82
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 3