8-Iodo-4-Methoxyindolo[2,1-b]Quinazoline-6,12-Dione
[CAS# 169038-38-4]

Identification

• Name: 8-Iodo-4-Methoxyindolo[2,1-b]Quinazoline-6,12-Dione
• Synonyms: AIDS168908; AIDS-168908
• Molecular Formula: C₁₆H₉IN₂O₃
• Molecular Weight: 404.16
• CAS Registry Number: 169038-38-4
• SMILES: Ic4cc2c(N/1C(=O)c3c(\N=C\1C2=O)c(OC)ccc3)cc4
• InChI: 1S/C16H9IN2O3/c1-22-12-4-2-3-9-13(12)18-15-14(20)10-7-8(17)5-6-11(10)19(15)16(9)21/h2-7H,1H3
• InChIKey: BODHONFKPSQHDK-UHFFFAOYSA-N

Properties

• Density: 1.93g/cm³ (Cal.)
• Boiling point: 589.83°C at 760 mmHg (Cal.)
• Flash point: 310.518°C (Cal.)
• Refractive index: 1.789 (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