N-Allyl-2-[(3,4-Dichlorophenyl)Amino]-6-Nitro-4-Oxo-3,4-Dihydro-8-Quinazolinecarboxamide
[CAS# 331645-84-2]

Identification

• Name: N-Allyl-2-[(3,4-Dichlorophenyl)Amino]-6-Nitro-4-Oxo-3,4-Dihydro-8-Quinazolinecarboxamide
• Synonyms: [331645-84-2]; 2-[(3,4-Dichlorophenyl)amino]-1,4-dihydro-6-nitro-4-oxo-N-2-propenyl-8-quinazolinecarboxamide; 8-QUINAZOLINECARBOXAMIDE,2-[(3,4-DICHLOROPHENYL)AMINO]-3,4-DIHYDRO-6-NITRO-4-OXO-N-2-PROPEN-1-YL-
• Molecular Formula: C₁₈H₁₃Cl₂N₅O₄
• Molecular Weight: 434.23
• CAS Registry Number: 331645-84-2
• SMILES: C=CCNC(=O)C1=CC(=CC2=C1N=C(NC2=O)NC3=CC(=C(C=C3)Cl)Cl)[N+](=O)[O-]
• InChI: 1S/C18H13Cl2N5O4/c1-2-5-21-16(26)11-7-10(25(28)29)8-12-15(11)23-18(24-17(12)27)22-9-3-4-13(19)14(20)6-9/h2-4,6-8H,1,5H2,(H,21,26)(H2,22,23,24,27)
• InChIKey: VUBILPOZTRGZJK-UHFFFAOYSA-N

Properties

• Density: 1.6±0.1g/cm³ (Cal.)
• Refractive index: 1.707 (Cal.)
• solubility: Soluble to 25 mM in DMSO