TL;DR: 1-Butyl-3-chloro-3-methyl-1,2,3,4-tetrahydroquinoline-2,4-dione (CAS 144603-21-4) is a chemical compound with molecular formula C14H16ClNO2 and molecular weight 265.08694 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-butyl-3-chloro-3-methylquinoline-2,4-dione
Also Known As: 1-butyl-3-chloro-3-methylquinoline-2,4-dione, 1-butyl-3-chloro-3-methyl-1,2,3,4-tetrahydroquinoline-2,4-dione, 1-Butyl-3-chloro-3-methylquinoline-2,4(1H,3H)-dione, 2-(4-methyl-1h-imidazol-5-yl)ethanamine dihydrochloride, 2,4(1H,3H)-Quinolinedione, 1-butyl-3-chloro-3-methyl-
| Molecular Formula | C14H16ClNO2 |
| Molecular Weight | 265.08694 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.08694 Da |
| Heavy Atoms | 18 |
| Complexity | 358.0 |
| SMILES | CCCCN1C2=CC=CC=C2C(=O)C(C1=O)(C)Cl |
| InChIKey | RNLSUJNFHAQNSI-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that 1-Butyl-3-chloro-3-methyl-1,2,3,4-tetrahydroquinoline-2,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.4 Ų, 1-Butyl-3-chloro-3-methyl-1,2,3,4-tetrahydroquinoline-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butyl-3-chloro-3-methyl-1,2,3,4-tetrahydroquinoline-2,4-dione has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-Butyl-3-chloro-3-methyl-1,2,3,4-tetrahydroquinoline-2,4-dione is 144603-21-4.
The molecular formula of 1-Butyl-3-chloro-3-methyl-1,2,3,4-tetrahydroquinoline-2,4-dione is C14H16ClNO2.
The molecular weight of 1-Butyl-3-chloro-3-methyl-1,2,3,4-tetrahydroquinoline-2,4-dione is 265.08694 g/mol.
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