TL;DR: 4(3H)-Quinazolinone, 3-(2-chlorophenyl)-6-fluoro-2-methyl- (CAS 49579-12-6) is a chemical compound with molecular formula C15H10ClFN2O and molecular weight 288.04657 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-chlorophenyl)-6-fluoro-2-methylquinazolin-4-one
Also Known As: 3-(2-Chlorophenyl)-6-fluoro-2-methyl-4(3H)-quinazolinone, 3-(2-chlorophenyl)-6-fluoro-2-methylquinazolin-4(3H)-one, 3-(2-chlorophenyl)-6-fluoro-2-methylquinazolin-4-one, 3-(2-chlorophenyl)-6-fluoro-2-methyl-3,4-dihydroquinazolin-4-one, 3-(2-chlorophenyl)-6-fluoro-2-methyl-quinazolin-4-one
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C15H10ClFN2O |
| Molecular Weight | 288.04657 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 288.04657 Da |
| Heavy Atoms | 20 |
| Complexity | 428.0 |
| SMILES | CC1=NC2=C(C=C(C=C2)F)C(=O)N1C3=CC=CC=C3Cl |
| InChIKey | TYDLGASFRRAUKQ-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4(3H)-Quinazolinone, 3-(2-chlorophenyl)-6-fluoro-2-methyl-. With a topological polar surface area (TPSA) of 32.7 Ų, 4(3H)-Quinazolinone, 3-(2-chlorophenyl)-6-fluoro-2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4(3H)-Quinazolinone, 3-(2-chlorophenyl)-6-fluoro-2-methyl- 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 4(3H)-Quinazolinone, 3-(2-chlorophenyl)-6-fluoro-2-methyl- is 49579-12-6.
The molecular formula of 4(3H)-Quinazolinone, 3-(2-chlorophenyl)-6-fluoro-2-methyl- is C15H10ClFN2O.
The molecular weight of 4(3H)-Quinazolinone, 3-(2-chlorophenyl)-6-fluoro-2-methyl- is 288.04657 g/mol.
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