TL;DR: 5-Iodo-6-nitro-2-piperazinylquinoline (CAS 139593-11-6) is a chemical compound with molecular formula C13H13IN4O2 and molecular weight 382.00848 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(125I)iodo-6-nitro-2-piperazin-1-ylquinoline
Also Known As: 5-I-6-Nqp, 5-Iodo-6-nitro-2-piperazinylquinoline, (125I)-5-Iodo-6-nitroquipazine, (125I)-5-Iodo-6-nitro-2-piperazinylquinoline, 5-(125I)iodanyl-6-nitro-2-piperazin-1-ylquinoline
| Molecular Formula | C13H13IN4O2 |
| Molecular Weight | 382.00848 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 74.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 382.00848 Da |
| Heavy Atoms | 20 |
| Complexity | 359.0 |
| SMILES | C1CN(CCN1)C2=NC3=C(C=C2)C(=C(C=C3)[N+](=O)[O-])[125I] |
| InChIKey | IRGBJHWMPCBAGK-XSBOKVBDSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Iodo-6-nitro-2-piperazinylquinoline. The TPSA of 74.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Iodo-6-nitro-2-piperazinylquinoline. Following Lipinski's Rule of Five, 5-Iodo-6-nitro-2-piperazinylquinoline has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5-Iodo-6-nitro-2-piperazinylquinoline is 139593-11-6.
The molecular formula of 5-Iodo-6-nitro-2-piperazinylquinoline is C13H13IN4O2.
The molecular weight of 5-Iodo-6-nitro-2-piperazinylquinoline is 382.00848 g/mol.
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