6,7-dimethoxy-2,3-dimethylquinoxaline

• ChemBase ID: 75280
• Molecular Formular: C12H14N2O2
• Molecular Mass: 218.25176
• Monoisotopic Mass: 218.1055277
• SMILES: n1c(c(nc2cc(c(cc12)OC)OC)C)C
• Canonical SMILES: COc1cc2nc(C)c(nc2cc1OC)C
• InChI: InChI=1S/C12H14N2O2/c1-7-8(2)14-10-6-12(16-4)11(15-3)5-9(10)13-7/h5-6H,1-4H3
• InChIKey: IZUXTDPRBHCJMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,7-dimethoxy-2,3-dimethylquinoxaline
• IUPAC Traditional name: 6,7-dimethoxy-2,3-dimethylquinoxaline
• Synonyms: 2,3-Dimethyl-6,7-dimethoxyquinoxaline

Database IDs

• CAS Number: 32388-00-4
• MDL Number: MFCD04038946
• PubChem SID: 162040198
• PubChem CID: 3082342

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.2452284
• LogD (pH = 7.4): 1.2464604
• Log P: 1.2464762
• Molar Refractivity: 59.5598 cm^3
• Polarizability: 24.613895 Å^3
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true