TL;DR: 3-chloro-7-methyl-3-phenyl-1H-quinoline-2,4-dione (CAS 128564-95-4) is a chemical compound with molecular formula C16H12ClNO2 and molecular weight 285.05566 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-7-methyl-3-phenyl-1H-quinoline-2,4-dione
Also Known As: 3-chloro-7-methyl-3-phenyl-1H-quinoline-2,4-dione
| Molecular Formula | C16H12ClNO2 |
| Molecular Weight | 285.05566 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 285.05566 Da |
| Heavy Atoms | 20 |
| Complexity | 419.0 |
| SMILES | CC1=CC2=C(C=C1)C(=O)C(C(=O)N2)(C3=CC=CC=C3)Cl |
| InChIKey | CFOGORGCJGLYLV-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that 3-chloro-7-methyl-3-phenyl-1H-quinoline-2,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.2 Ų, 3-chloro-7-methyl-3-phenyl-1H-quinoline-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-7-methyl-3-phenyl-1H-quinoline-2,4-dione has 1 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 3-chloro-7-methyl-3-phenyl-1H-quinoline-2,4-dione is 128564-95-4.
The molecular formula of 3-chloro-7-methyl-3-phenyl-1H-quinoline-2,4-dione is C16H12ClNO2.
The molecular weight of 3-chloro-7-methyl-3-phenyl-1H-quinoline-2,4-dione is 285.05566 g/mol.
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