TL;DR: 4(3H)-Quinazolinone, 3-(4,5-dihydro-4-((4-methoxyphenyl)methylene)-2-methyl-5-oxo-1H-imidazol-1-yl)-6-iodo-2-methyl- (CAS 114496-24-1) is a chemical compound with molecular formula C21H17IN4O3 and molecular weight 500.03455 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-iodo-3-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]-2-methylquinazolin-4-one
Also Known As: 4(3H)-Quinazolinone, 3-(4,5-dihydro-4-((4-methoxyphenyl)methylene)-2-methyl-5-oxo-1H-imidazol-1-yl)-6-iodo-2-methyl-, 4(3H)-Quinazolinone, 3-(4,5-dihydro-4-((4-methoxyphenyl)methylene)-2-methyl-5-oxo-1H-imidazol-1-, 6-iodo-3-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]-2-methylquinazolin-4-one
| Molecular Formula | C21H17IN4O3 |
| Molecular Weight | 500.03455 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 74.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 500.03455 Da |
| Heavy Atoms | 29 |
| Complexity | 785.0 |
| SMILES | CC1=NC2=C(C=C(C=C2)I)C(=O)N1N3C(=N/C(=C\C4=CC=C(C=C4)OC)/C3=O)C |
| InChIKey | SFPVAINEBMVBNA-GRSHGNNSSA-N |
The XLogP value of 3.0 indicates that 4(3H)-Quinazolinone, 3-(4,5-dihydro-4-((4-methoxyphenyl)methylene)-2-methyl-5-oxo-1H-imidazol-1-yl)-6-iodo-2-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4(3H)-Quinazolinone, 3-(4,5-dihydro-4-((4-methoxyphenyl)methylene)-2-methyl-5-oxo-1H-imidazol-1-yl)-6-iodo-2-methyl-. Following Lipinski's Rule of Five, 4(3H)-Quinazolinone, 3-(4,5-dihydro-4-((4-methoxyphenyl)methylene)-2-methyl-5-oxo-1H-imidazol-1-yl)-6-iodo-2-methyl- has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 4(3H)-Quinazolinone, 3-(4,5-dihydro-4-((4-methoxyphenyl)methylene)-2-methyl-5-oxo-1H-imidazol-1-yl)-6-iodo-2-methyl- is 114496-24-1.
The molecular formula of 4(3H)-Quinazolinone, 3-(4,5-dihydro-4-((4-methoxyphenyl)methylene)-2-methyl-5-oxo-1H-imidazol-1-yl)-6-iodo-2-methyl- is C21H17IN4O3.
The molecular weight of 4(3H)-Quinazolinone, 3-(4,5-dihydro-4-((4-methoxyphenyl)methylene)-2-methyl-5-oxo-1H-imidazol-1-yl)-6-iodo-2-methyl- is 500.03455 g/mol.
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