TL;DR: 2-Buten-1-one, 1-[4-(7-chloro-4-quinolinyl)-1-piperazinyl]-, (2E)- (CAS 1370264-19-9) is a chemical compound with molecular formula C17H18ClN3O and molecular weight 315.11383 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]but-2-en-1-one
Also Known As: Maybridge3_003916, IDI1_015303, 2-Buten-1-one, 1-[4-(7-chloro-4-quinolinyl)-1-piperazinyl]-, (2E)-, (2E)-1-[4-(7-Chloroquinolin-4-yl)piperazin-1-yl]but-2-en-1-one, (E)-1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]but-2-en-1-one
| Molecular Formula | C17H18ClN3O |
| Molecular Weight | 315.11383 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 36.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 315.11383 Da |
| Heavy Atoms | 22 |
| Complexity | 420.0 |
| SMILES | C/C=C/C(=O)N1CCN(CC1)C2=C3C=CC(=CC3=NC=C2)Cl |
| InChIKey | CBUVBSYMROWUFM-NSCUHMNNSA-N |
The XLogP value of 3.0 indicates that 2-Buten-1-one, 1-[4-(7-chloro-4-quinolinyl)-1-piperazinyl]-, (2E)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.4 Ų, 2-Buten-1-one, 1-[4-(7-chloro-4-quinolinyl)-1-piperazinyl]-, (2E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Buten-1-one, 1-[4-(7-chloro-4-quinolinyl)-1-piperazinyl]-, (2E)- 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 2-Buten-1-one, 1-[4-(7-chloro-4-quinolinyl)-1-piperazinyl]-, (2E)- is 1370264-19-9.
The molecular formula of 2-Buten-1-one, 1-[4-(7-chloro-4-quinolinyl)-1-piperazinyl]-, (2E)- is C17H18ClN3O.
The molecular weight of 2-Buten-1-one, 1-[4-(7-chloro-4-quinolinyl)-1-piperazinyl]-, (2E)- is 315.11383 g/mol.
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