TL;DR: 4(3H)-Quinazolinone, 3-(1-(4-methoxybenzoyl)ethenyl)- (CAS 108664-35-3) is a chemical compound with molecular formula C18H14N2O3 and molecular weight 306.10043 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[3-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]quinazolin-4-one
Also Known As: 4(3H)-Quinazolinone, 3-(1-(4-methoxybenzoyl)ethenyl)-, 3-[1-(4-methoxybenzoyl)vinyl]quinazolin-4-one, 4(3H)-Quinazolinone, 3-[1-(4-methoxybenzoyl)ethenyl]-, 3-[3-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]quinazolin-4-one, 3-[3-(4-Methoxyphenyl)-3-oxoprop-1-en-2-yl]quinazolin-4(3H)-one
| Molecular Formula | C18H14N2O3 |
| Molecular Weight | 306.10043 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 306.10043 Da |
| Heavy Atoms | 23 |
| Complexity | 520.0 |
| SMILES | COC1=CC=C(C=C1)C(=O)C(=C)N2C=NC3=CC=CC=C3C2=O |
| InChIKey | CSVYJUVUGZFMJT-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4(3H)-Quinazolinone, 3-(1-(4-methoxybenzoyl)ethenyl)-. With a topological polar surface area (TPSA) of 59.0 Ų, 4(3H)-Quinazolinone, 3-(1-(4-methoxybenzoyl)ethenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4(3H)-Quinazolinone, 3-(1-(4-methoxybenzoyl)ethenyl)- 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, 3-(1-(4-methoxybenzoyl)ethenyl)- is 108664-35-3.
The molecular formula of 4(3H)-Quinazolinone, 3-(1-(4-methoxybenzoyl)ethenyl)- is C18H14N2O3.
The molecular weight of 4(3H)-Quinazolinone, 3-(1-(4-methoxybenzoyl)ethenyl)- is 306.10043 g/mol.
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