4-Hydroxyindolo[2,1-b]quinazoline-6,12-dione
[CAS# 959348-06-2]

Identification

• Name: 4-Hydroxyindolo[2,1-b]quinazoline-6,12-dione
• Synonyms: 4-Hydroxy-10b-hydroindolino[2,1-b]quinazoline-6,11-dione; 4-hydroxyindolo[2,1-b]quinazoline-6,12-dione; A-ring substituted tryptanthrin derivative
• Molecular Formula: C₁₅H₈N₂O₃
• Molecular Weight: 264.24
• CAS Registry Number: 959348-06-2
• SMILES: O=C4C\2=N\c1c(O)cccc1C(=O)N/2c3ccccc34
• InChI: 1S/C15H8N2O3/c18-11-7-3-5-9-12(11)16-14-13(19)8-4-1-2-6-10(8)17(14)15(9)20/h1-7,18H
• InChIKey: JMQBMIIZIYYESH-UHFFFAOYSA-N

Properties

• Density: 1.579g/cm³ (Cal.)
• Boiling point: 526.581°C at 760 mmHg (Cal.)
• Flash point: 272.267°C (Cal.)
• Refractive index: 1.792 (Cal.)

References

• (1): Philip Prathipati, Ngai Ling Ma* and Thomas H. Keller. Global Bayesian Models for the Prioritization of Antitubercular Agents, J. Chem. Inf. Model., 2008, 48 (12), pp 2362–2370