TL;DR: Quinoline, 4-(2-(4-(3-methylphenyl)-1-piperazinyl)ethyl)- (CAS 126921-45-7) is a chemical compound with molecular formula C22H25N3 and molecular weight 331.20483 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]quinoline
Also Known As: Quinoline, 4-(2-(4-(3-methylphenyl)-1-piperazinyl)ethyl)-, 1H-Indole-3-carbonylchloride,1-methyl, 4-(2-(4-(3-Methylphenyl)-1-piperazinyl)ethyl)quinoline, 4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]quinoline, Quinoline,4-[2-[4-(3-methylphenyl)-1-piperazinyl]ethyl]-
| Molecular Formula | C22H25N3 |
| Molecular Weight | 331.20483 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 19.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.20483 Da |
| Heavy Atoms | 25 |
| Complexity | 404.0 |
| SMILES | CC1=CC(=CC=C1)N2CCN(CC2)CCC3=CC=NC4=CC=CC=C34 |
| InChIKey | GQSXKWUTTMQELA-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that Quinoline, 4-(2-(4-(3-methylphenyl)-1-piperazinyl)ethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 19.4 Ų, Quinoline, 4-(2-(4-(3-methylphenyl)-1-piperazinyl)ethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Quinoline, 4-(2-(4-(3-methylphenyl)-1-piperazinyl)ethyl)- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Quinoline, 4-(2-(4-(3-methylphenyl)-1-piperazinyl)ethyl)- is 126921-45-7.
The molecular formula of Quinoline, 4-(2-(4-(3-methylphenyl)-1-piperazinyl)ethyl)- is C22H25N3.
The molecular weight of Quinoline, 4-(2-(4-(3-methylphenyl)-1-piperazinyl)ethyl)- is 331.20483 g/mol.
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