2,3,6,7-tetramethylquinoxaline

• ChemBase ID: 75339
• Molecular Formular: C12H14N2
• Molecular Mass: 186.25296
• Monoisotopic Mass: 186.11569846
• SMILES: n1c(c(nc2cc(c(cc12)C)C)C)C
• Canonical SMILES: Cc1cc2nc(C)c(nc2cc1C)C
• InChI: InChI=1S/C12H14N2/c1-7-5-11-12(6-8(7)2)14-10(4)9(3)13-11/h5-6H,1-4H3
• InChIKey: MRHHHYZFDDQAQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,6,7-tetramethylquinoxaline
• IUPAC Traditional name: 2,3,6,7-tetramethylquinoxaline
• Synonyms: 2,3,6,7-Tetramethylquinoxaline

Database IDs

• CAS Number: 6957-19-3
• MDL Number: MFCD00085512
• PubChem SID: 162040257
• PubChem CID: 248749

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.587519
• LogD (pH = 7.4): 2.5886471
• Log P: 2.5886614
• Molar Refractivity: 56.7158 cm^3
• Polarizability: 23.173443 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true