TL;DR: 4(3H)-Quinazolinone, 7-chloro-3-(3-methyl-5-isoxazolyl)-2-phenyl- (CAS 144485-81-4) is a chemical compound with molecular formula C18H12ClN3O2 and molecular weight 337.0618 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-chloro-3-(3-methyl-1,2-oxazol-5-yl)-2-phenylquinazolin-4-one
Also Known As: 4(3H)-Quinazolinone, 7-chloro-3-(3-methyl-5-isoxazolyl)-2-phenyl-, 7-Chloro-3-(3-methyl-5-isoxazolyl)-2-phenyl-4(3H)-quinazolinone, 7-chloro-3-(3-methyl-1,2-oxazol-5-yl)-2-phenylquinazolin-4(3h)-one, 2-Phenyl-7-chloro-3-(3-methylisoxazol-5-yl)quinazolin-4(3H)-one, 7-chloro-3-(3-methyl-1,2-oxazol-5-yl)-2-phenylquinazolin-4-one
| Molecular Formula | C18H12ClN3O2 |
| Molecular Weight | 337.0618 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 58.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 337.0618 Da |
| Heavy Atoms | 24 |
| Complexity | 520.0 |
| SMILES | CC1=NOC(=C1)N2C(=NC3=C(C2=O)C=CC(=C3)Cl)C4=CC=CC=C4 |
| InChIKey | SDVVRTTUCCDFPY-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that 4(3H)-Quinazolinone, 7-chloro-3-(3-methyl-5-isoxazolyl)-2-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.7 Ų, 4(3H)-Quinazolinone, 7-chloro-3-(3-methyl-5-isoxazolyl)-2-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4(3H)-Quinazolinone, 7-chloro-3-(3-methyl-5-isoxazolyl)-2-phenyl- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4(3H)-Quinazolinone, 7-chloro-3-(3-methyl-5-isoxazolyl)-2-phenyl- is 144485-81-4.
The molecular formula of 4(3H)-Quinazolinone, 7-chloro-3-(3-methyl-5-isoxazolyl)-2-phenyl- is C18H12ClN3O2.
The molecular weight of 4(3H)-Quinazolinone, 7-chloro-3-(3-methyl-5-isoxazolyl)-2-phenyl- is 337.0618 g/mol.
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