6,7-dimethylquinoxaline

• ChemBase ID: 75283
• Molecular Formular: C10H10N2
• Molecular Mass: 158.1998
• Monoisotopic Mass: 158.08439833
• SMILES: n1ccnc2cc(c(cc12)C)C
• Canonical SMILES: Cc1cc2nccnc2cc1C
• InChI: InChI=1S/C10H10N2/c1-7-5-9-10(6-8(7)2)12-4-3-11-9/h3-6H,1-2H3
• InChIKey: JOAAHJHQXOCSAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,7-dimethylquinoxaline
• IUPAC Traditional name: 6,7-dimethylquinoxaline
• Synonyms: 6,7-Dimethylquinoxaline

Database IDs

• CAS Number: 7153-23-3
• MDL Number: MFCD03931879
• PubChem SID: 162040201
• PubChem CID: 247669

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3255913
• LogD (pH = 7.4): 2.325917
• Log P: 2.325921
• Molar Refractivity: 47.5328 cm^3
• Polarizability: 19.64636 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true