TL;DR: Pyridin-4-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone (CAS 683807-84-3) is a chemical compound with molecular formula C19H18N4O and molecular weight 318.14807 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
pyridin-4-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone
Also Known As: 2-(4-isonicotinoyl-1-piperazinyl)quinoline, Pyridin-4-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone, pyridin-4-yl[4-(quinolin-2-yl)piperazin-1-yl]methanone, 2-[4-(PYRIDINE-4-CARBONYL)PIPERAZIN-1-YL]QUINOLINE
| Molecular Formula | C19H18N4O |
| Molecular Weight | 318.14807 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 49.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 318.14807 Da |
| Heavy Atoms | 24 |
| Complexity | 429.0 |
| SMILES | C1CN(CCN1C2=NC3=CC=CC=C3C=C2)C(=O)C4=CC=NC=C4 |
| InChIKey | MHPUIBLIRIJKFE-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridin-4-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone. With a topological polar surface area (TPSA) of 49.3 Ų, Pyridin-4-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridin-4-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Pyridin-4-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone is 683807-84-3.
The molecular formula of Pyridin-4-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone is C19H18N4O.
The molecular weight of Pyridin-4-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone is 318.14807 g/mol.
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