TL;DR: 4-[2-[4-(5-Nitroquinolin-8-yl)piperazin-1-yl]ethoxy]-1,2,5-oxadiazol-3-amine (CAS 331677-21-5) is a chemical compound with molecular formula C17H19N7O4 and molecular weight 385.14984 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]ethoxy]-1,2,5-oxadiazol-3-amine
Also Known As: BIM-0025938.P001, 4-[2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]ethoxy]-1,2,5-oxadiazol-3-amine, 4-{2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]ethoxy}-1,2,5-oxadiazol-3-amine, 4-(2-(4-(5-nitroquinolin-8-yl)piperazin-1-yl)ethoxy)-1,2,5-oxadiazol-3-amine, 4-{2-[4-(5-Nitro-quinolin-8-yl)-piperazin-1-yl]-ethoxy}-furazan-3-ylamine
| Molecular Formula | C17H19N7O4 |
| Molecular Weight | 385.14984 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 139.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 385.14984 Da |
| Heavy Atoms | 28 |
| Complexity | 528.0 |
| SMILES | C1CN(CCN1CCOC2=NON=C2N)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4 |
| InChIKey | WHIBHRQRVVBKHZ-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[2-[4-(5-Nitroquinolin-8-yl)piperazin-1-yl]ethoxy]-1,2,5-oxadiazol-3-amine. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[2-[4-(5-Nitroquinolin-8-yl)piperazin-1-yl]ethoxy]-1,2,5-oxadiazol-3-amine. Following Lipinski's Rule of Five, 4-[2-[4-(5-Nitroquinolin-8-yl)piperazin-1-yl]ethoxy]-1,2,5-oxadiazol-3-amine has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-[2-[4-(5-Nitroquinolin-8-yl)piperazin-1-yl]ethoxy]-1,2,5-oxadiazol-3-amine is 331677-21-5.
The molecular formula of 4-[2-[4-(5-Nitroquinolin-8-yl)piperazin-1-yl]ethoxy]-1,2,5-oxadiazol-3-amine is C17H19N7O4.
The molecular weight of 4-[2-[4-(5-Nitroquinolin-8-yl)piperazin-1-yl]ethoxy]-1,2,5-oxadiazol-3-amine is 385.14984 g/mol.
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