3-Phenyl-2,4(1H,3H)-Quinazolinedione
[CAS# 603-23-6]

Identification

• Name: 3-Phenyl-2,4(1H,3H)-Quinazolinedione
• Synonyms: 3-Phenyl-1H-Quinazoline-2,4-Quinone; Aids-093211; St5103833
• Molecular Formula: C₁₄H₁₀N₂O₂
• Molecular Weight: 238.25
• CAS Registry Number: 603-23-6
• SMILES: C1=CC=CC=C1N3C(C2=C(C=CC=C2)NC3=O)=O
• InChI: 1S/C14H10N2O2/c17-13-11-8-4-5-9-12(11)15-14(18)16(13)10-6-2-1-3-7-10/h1-9H,(H,15,18)
• InChIKey: BHQNJNLXFVJFFI-UHFFFAOYSA-N

Properties

• Density: 1.32g/cm³ (Cal.)
• Boiling point: 447.6°C at 760 mmHg (Cal.)
• Flash point: 224.5°C (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