6-methoxyquinoxaline

• ChemBase ID: 75307
• Molecular Formular: C9H8N2O
• Molecular Mass: 160.17262
• Monoisotopic Mass: 160.06366289
• SMILES: n1ccnc2cc(ccc12)OC
• Canonical SMILES: COc1ccc2c(c1)nccn2
• InChI: InChI=1S/C9H8N2O/c1-12-7-2-3-8-9(6-7)11-5-4-10-8/h2-6H,1H3
• InChIKey: BURIFIXTNVTJJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxyquinoxaline
• IUPAC Traditional name: 6-methoxyquinoxaline
• Synonyms: 6-Methoxyquinoxaline

Database IDs

• CAS Number: 6639-82-3
• MDL Number: MFCD00666601
• PubChem SID: 162040225
• PubChem CID: 241501

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.1412365
• LogD (pH = 7.4): 1.141405
• Log P: 1.1414071
• Molar Refractivity: 43.9136 cm^3
• Polarizability: 18.58726 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 97%; 98%