6,7-dichloro-2-(1H-indol-3-yl)quinoxaline

• ChemBase ID: 71130
• Molecular Formular: C16H9Cl2N3
• Molecular Mass: 314.16876
• Monoisotopic Mass: 313.01735266
• SMILES: n1c(cnc2cc(c(cc12)Cl)Cl)c1c[nH]c2c1cccc2
• Canonical SMILES: Clc1cc2ncc(nc2cc1Cl)c1c[nH]c2c1cccc2
• InChI: InChI=1S/C16H9Cl2N3/c17-11-5-14-15(6-12(11)18)21-16(8-20-14)10-7-19-13-4-2-1-3-9(10)13/h1-8,19H
• InChIKey: HGBMOZJNNZKXPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,7-dichloro-2-(1H-indol-3-yl)quinoxaline
• IUPAC Traditional name: 6,7-dichloro-2-(1H-indol-3-yl)quinoxaline
• Synonyms: 6,7-Dichloro-2-(1H-indol-3-yl)-quinoxaline

Database IDs

• PubChem SID: 162103531
• PubChem CID: 71299835

CALCULATED PROPERTIES

• Acid pKa: 14.562029
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.6390047
• LogD (pH = 7.4): 4.639005
• Log P: 4.639005
• Molar Refractivity: 82.9107 cm^3
• Polarizability: 36.034252 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false