6-methoxy-2,3-dimethylquinoxaline

• ChemBase ID: 75281
• Molecular Formular: C11H12N2O
• Molecular Mass: 188.22578
• Monoisotopic Mass: 188.09496301
• SMILES: n1c(c(nc2cc(ccc12)OC)C)C
• Canonical SMILES: COc1ccc2c(c1)nc(c(n2)C)C
• InChI: InChI=1S/C11H12N2O/c1-7-8(2)13-11-6-9(14-3)4-5-10(11)12-7/h4-6H,1-3H3
• InChIKey: QWGMPWRVGQLNHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-2,3-dimethylquinoxaline
• IUPAC Traditional name: 6-methoxy-2,3-dimethylquinoxaline
• Synonyms: 2,3-Dimethyl-6-methoxyquinoxaline

Database IDs

• CAS Number: 6637-22-5
• MDL Number: MFCD04038947
• PubChem SID: 162040199
• PubChem CID: 81137

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.403534
• LogD (pH = 7.4): 1.4041398
• Log P: 1.4041474
• Molar Refractivity: 53.0966 cm^3
• Polarizability: 22.116951 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true