2-(5-methoxy-1H-indol-3-yl)-6,7-dimethylquinoxaline

• ChemBase ID: 71131
• Molecular Formular: C19H17N3O
• Molecular Mass: 303.35778
• Monoisotopic Mass: 303.13716218
• SMILES: n1c(cnc2cc(c(cc12)C)C)c1c[nH]c2c1cc(cc2)OC
• Canonical SMILES: COc1ccc2c(c1)c(c[nH]2)c1cnc2c(n1)cc(c(c2)C)C
• InChI: InChI=1S/C19H17N3O/c1-11-6-17-18(7-12(11)2)22-19(10-21-17)15-9-20-16-5-4-13(23-3)8-14(15)16/h4-10,20H,1-3H3
• InChIKey: RYSROPMYYYKLKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-methoxy-1H-indol-3-yl)-6,7-dimethylquinoxaline
• IUPAC Traditional name: 2-(5-methoxy-1H-indol-3-yl)-6,7-dimethylquinoxaline
• Synonyms: 2-(5-Chloro-1H-indol-3-yl)-6,7-dimethyl-quinoxaline; 2-(5-Methoxy-1H-indol-3-yl)-6,7-dimethyl-quinoxaline

Database IDs

• PubChem SID: 162103532
• PubChem CID: 71299836

CALCULATED PROPERTIES

• Acid pKa: 14.856921
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.2999797
• LogD (pH = 7.4): 4.300086
• Log P: 4.3000875
• Molar Refractivity: 89.8467 cm^3
• Polarizability: 38.449364 Å^3
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false