TL;DR: 2-(2-{2-nitrophenyl}vinyl)-3-(3-hydroxyphenyl)-4(3H)-quinazolinone (CAS 1624273-24-0) is a chemical compound with molecular formula C22H15N3O4 and molecular weight 385.10626 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3-hydroxyphenyl)-2-[(E)-2-(2-nitrophenyl)ethenyl]quinazolin-4-one
Also Known As: 2-(2-{2-nitrophenyl}vinyl)-3-(3-hydroxyphenyl)-4(3H)-quinazolinone, BIM-0021735.P001, AJ-292/13210578, 3-(3-hydroxyphenyl)-2-[(E)-2-(2-nitrophenyl)ethenyl]quinazolin-4-one, 3-(3-hydroxyphenyl)-2-[(E)-2-(2-nitrophenyl)ethenyl]quinazolin-4(3H)-one
| Molecular Formula | C22H15N3O4 |
| Molecular Weight | 385.10626 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 98.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 385.10626 Da |
| Heavy Atoms | 29 |
| Complexity | 686.0 |
| SMILES | C1=CC=C(C(=C1)/C=C/C2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)O)[N+](=O)[O-] |
| InChIKey | BWVWHGCAQNBCLQ-OUKQBFOZSA-N |
The XLogP value of 4.0 indicates that 2-(2-{2-nitrophenyl}vinyl)-3-(3-hydroxyphenyl)-4(3H)-quinazolinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-{2-nitrophenyl}vinyl)-3-(3-hydroxyphenyl)-4(3H)-quinazolinone. Following Lipinski's Rule of Five, 2-(2-{2-nitrophenyl}vinyl)-3-(3-hydroxyphenyl)-4(3H)-quinazolinone has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(2-{2-nitrophenyl}vinyl)-3-(3-hydroxyphenyl)-4(3H)-quinazolinone is 1624273-24-0.
The molecular formula of 2-(2-{2-nitrophenyl}vinyl)-3-(3-hydroxyphenyl)-4(3H)-quinazolinone is C22H15N3O4.
The molecular weight of 2-(2-{2-nitrophenyl}vinyl)-3-(3-hydroxyphenyl)-4(3H)-quinazolinone is 385.10626 g/mol.
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