TL;DR: 2-[(E)-2-(2-chlorophenyl)ethenyl]-6-iodo-3-(3-methoxyphenyl)quinazolin-4(3H)-one (CAS 488810-01-1) is a chemical compound with molecular formula C23H16ClIN2O2 and molecular weight 513.9945 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(E)-2-(2-chlorophenyl)ethenyl]-6-iodo-3-(3-methoxyphenyl)quinazolin-4-one
Also Known As: (E)-2-(2-chlorostyryl)-6-iodo-3-(3-methoxyphenyl)quinazolin-4(3H)-one, 2-[2-(2-chlorophenyl)ethenyl]-6-iodo-3-(3-methoxyphenyl)quinazolin-4-one, 2-[(E)-2-(2-chlorophenyl)ethenyl]-6-iodo-3-(3-methoxyphenyl)quinazolin-4(3H)-one, 2-[(E)-2-(2-chlorophenyl)ethenyl]-6-iodo-3-(3-methoxyphenyl)quinazolin-4-one
| Molecular Formula | C23H16ClIN2O2 |
| Molecular Weight | 513.9945 g/mol |
| XLogP | 5.8 |
| Topological Polar Surface Area (TPSA) | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 513.9945 Da |
| Heavy Atoms | 29 |
| Complexity | 655.0 |
| SMILES | COC1=CC=CC(=C1)N2C(=NC3=C(C2=O)C=C(C=C3)I)/C=C/C4=CC=CC=C4Cl |
| InChIKey | NCCQFVKDLDZDLQ-FMIVXFBMSA-N |
The XLogP value of 5.8 indicates that 2-[(E)-2-(2-chlorophenyl)ethenyl]-6-iodo-3-(3-methoxyphenyl)quinazolin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.9 Ų, 2-[(E)-2-(2-chlorophenyl)ethenyl]-6-iodo-3-(3-methoxyphenyl)quinazolin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(E)-2-(2-chlorophenyl)ethenyl]-6-iodo-3-(3-methoxyphenyl)quinazolin-4(3H)-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-[(E)-2-(2-chlorophenyl)ethenyl]-6-iodo-3-(3-methoxyphenyl)quinazolin-4(3H)-one is 488810-01-1.
The molecular formula of 2-[(E)-2-(2-chlorophenyl)ethenyl]-6-iodo-3-(3-methoxyphenyl)quinazolin-4(3H)-one is C23H16ClIN2O2.
The molecular weight of 2-[(E)-2-(2-chlorophenyl)ethenyl]-6-iodo-3-(3-methoxyphenyl)quinazolin-4(3H)-one is 513.9945 g/mol.
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