TL;DR: 4(3H)-Quinazolinone, 3-(4-hydroxy-2-methylphenyl)-2-methyl- (CAS 5060-52-6) is a chemical compound with molecular formula C16H14N2O2 and molecular weight 266.10553 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-hydroxy-2-methylphenyl)-2-methylquinazolin-4-one
Also Known As: 4'-Hydroxymethaqualone, 4'-Hydroxymethaqualon, 4 -Hydroxymethaqualone, 2-Methyl-3- quinazoline-4 -one, 3-(4-Hydroxy-2-methylphenyl)-2-methyl-4(3H)-quinazolinone
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C16H14N2O2 |
| Molecular Weight | 266.10553 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 266.10553 Da |
| Heavy Atoms | 20 |
| Complexity | 421.0 |
| SMILES | CC1=C(C=CC(=C1)O)N2C(=NC3=CC=CC=C3C2=O)C |
| InChIKey | HIYZKXXSRNPSQJ-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4(3H)-Quinazolinone, 3-(4-hydroxy-2-methylphenyl)-2-methyl-. With a topological polar surface area (TPSA) of 52.9 Ų, 4(3H)-Quinazolinone, 3-(4-hydroxy-2-methylphenyl)-2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4(3H)-Quinazolinone, 3-(4-hydroxy-2-methylphenyl)-2-methyl- has 1 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-(4-hydroxy-2-methylphenyl)-2-methyl- is 5060-52-6.
The molecular formula of 4(3H)-Quinazolinone, 3-(4-hydroxy-2-methylphenyl)-2-methyl- is C16H14N2O2.
The molecular weight of 4(3H)-Quinazolinone, 3-(4-hydroxy-2-methylphenyl)-2-methyl- is 266.10553 g/mol.
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