TL;DR: Ethyl 4-(2-(2-chlorophenyl)quinoline-4-carbonyl)piperazine-1-carboxylate (CAS 1046235-46-4) is a chemical compound with molecular formula C23H22ClN3O3 and molecular weight 423.13498 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-[2-(2-chlorophenyl)quinoline-4-carbonyl]piperazine-1-carboxylate
Also Known As: Ethyl 4-[2-(2-chlorophenyl)quinoline-4-carbonyl]piperazine-1-carboxylate, ethyl 4-(2-(2-chlorophenyl)quinoline-4-carbonyl)piperazine-1-carboxylate, ethyl 4-{[2-(2-chlorophenyl)quinolin-4-yl]carbonyl}piperazine-1-carboxylate
| Molecular Formula | C23H22ClN3O3 |
| Molecular Weight | 423.13498 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 62.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 423.13498 Da |
| Heavy Atoms | 30 |
| Complexity | 611.0 |
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4Cl |
| InChIKey | BKGUDLACMZOPCQ-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that Ethyl 4-(2-(2-chlorophenyl)quinoline-4-carbonyl)piperazine-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(2-(2-chlorophenyl)quinoline-4-carbonyl)piperazine-1-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-(2-(2-chlorophenyl)quinoline-4-carbonyl)piperazine-1-carboxylate 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 Ethyl 4-(2-(2-chlorophenyl)quinoline-4-carbonyl)piperazine-1-carboxylate is 1046235-46-4.
The molecular formula of Ethyl 4-(2-(2-chlorophenyl)quinoline-4-carbonyl)piperazine-1-carboxylate is C23H22ClN3O3.
The molecular weight of Ethyl 4-(2-(2-chlorophenyl)quinoline-4-carbonyl)piperazine-1-carboxylate is 423.13498 g/mol.
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