TL;DR: 4(3H)-Quinazolinone, 3-(2-(4-chlorobenzoyl)-2-propenyl)- (CAS 108664-46-6) is a chemical compound with molecular formula C18H13ClN2O2 and molecular weight 324.06656 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-(4-chlorobenzoyl)prop-2-enyl]quinazolin-4-one
Also Known As: 4(3H)-Quinazolinone, 3-(2-(4-chlorobenzoyl)-2-propenyl)-, 3-[2-(4-chlorobenzoyl)allyl]quinazolin-4-one, 3-[2-(4-chlorobenzoyl)prop-2-enyl]quinazolin-4-one, 3-[2-(4-Chlorobenzoyl)prop-2-en-1-yl]quinazolin-4(3H)-one, 4(3H)-Quinazolinone, 3-[2-(4-chlorobenzoyl)-2-propenyl]-
| Molecular Formula | C18H13ClN2O2 |
| Molecular Weight | 324.06656 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 49.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.06656 Da |
| Heavy Atoms | 23 |
| Complexity | 523.0 |
| SMILES | C=C(CN1C=NC2=CC=CC=C2C1=O)C(=O)C3=CC=C(C=C3)Cl |
| InChIKey | UXFNKWSPVJQBPA-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that 4(3H)-Quinazolinone, 3-(2-(4-chlorobenzoyl)-2-propenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.7 Ų, 4(3H)-Quinazolinone, 3-(2-(4-chlorobenzoyl)-2-propenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4(3H)-Quinazolinone, 3-(2-(4-chlorobenzoyl)-2-propenyl)- 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-(4-chlorobenzoyl)-2-propenyl)- is 108664-46-6.
The molecular formula of 4(3H)-Quinazolinone, 3-(2-(4-chlorobenzoyl)-2-propenyl)- is C18H13ClN2O2.
The molecular weight of 4(3H)-Quinazolinone, 3-(2-(4-chlorobenzoyl)-2-propenyl)- is 324.06656 g/mol.
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