(4-Chlorophenyl)[4-(8-Nitro-5-Quinolinyl)-1-Piperazinyl]Methanone
[CAS# 115687-05-3]

Identification

• Name: (4-Chlorophenyl)[4-(8-Nitro-5-Quinolinyl)-1-Piperazinyl]Methanone
• Synonyms: (4-chlorophenyl)(4-(8-nitroquinolin-5-yl)piperazin-1-yl)methanone; 4-chlorophenyl 4-(8-nitro(5-quinolyl))piperazinyl ketone; 5-[4-(4-Chlorobenzoyl)-1-piperazinyl]-8-nitroquinoline
• Molecular Formula: C₂₀H₁₇ClN₄O₃
• Molecular Weight: 396.83
• CAS Registry Number: 115687-05-3
• SMILES: C1CN(CCN1C2=C3C=CC=NC3=C(C=C2)[N+](=O)[O-])C(=O)C4=CC=C(C=C4)Cl
• InChI: 1S/C20H17ClN4O3/c21-15-5-3-14(4-6-15)20(26)24-12-10-23(11-13-24)17-7-8-18(25(27)28)19-16(17)2-1-9-22-19/h1-9H,10-13H2
• InChIKey: KLNPVNZJCWIQSK-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 645.5±55.0°C at 760 mmHg (Cal.)
• Flash point: 344.2±31.5°C (Cal.)
• Refractive index: 1.687 (Cal.)
• solubility: Soluble to 100 mM in DMSO and to 10 mM in ethanol