TL;DR: (Z)-3-(4-chlorophenyl)-2-((1-methyl-2-oxoindolin-3-ylidene)methyl)quinazolin-4(3H)-one (CAS 799825-93-7) is a chemical compound with molecular formula C24H16ClN3O2 and molecular weight 413.0931 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-chlorophenyl)-2-[(Z)-(1-methyl-2-oxoindol-3-ylidene)methyl]quinazolin-4-one
Also Known As: (Z)-3-(4-chlorophenyl)-2-((1-methyl-2-oxoindolin-3-ylidene)methyl)quinazolin-4(3H)-one, 3-(4-chlorophenyl)-2-[(Z)-(1-methyl-2-oxoindol-3-ylidene)methyl]quinazolin-4-one, 3-(4-chlorophenyl)-2-[(Z)-(1-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]quinazolin-4(3H)-one
| Molecular Formula | C24H16ClN3O2 |
| Molecular Weight | 413.0931 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 53.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 413.0931 Da |
| Heavy Atoms | 30 |
| Complexity | 770.0 |
| SMILES | CN1C2=CC=CC=C2/C(=C/C3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)Cl)/C1=O |
| InChIKey | PKANGYBYFSCXPB-RGEXLXHISA-N |
The XLogP value of 4.0 indicates that (Z)-3-(4-chlorophenyl)-2-((1-methyl-2-oxoindolin-3-ylidene)methyl)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 53.0 Ų, (Z)-3-(4-chlorophenyl)-2-((1-methyl-2-oxoindolin-3-ylidene)methyl)quinazolin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-3-(4-chlorophenyl)-2-((1-methyl-2-oxoindolin-3-ylidene)methyl)quinazolin-4(3H)-one 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 (Z)-3-(4-chlorophenyl)-2-((1-methyl-2-oxoindolin-3-ylidene)methyl)quinazolin-4(3H)-one is 799825-93-7.
The molecular formula of (Z)-3-(4-chlorophenyl)-2-((1-methyl-2-oxoindolin-3-ylidene)methyl)quinazolin-4(3H)-one is C24H16ClN3O2.
The molecular weight of (Z)-3-(4-chlorophenyl)-2-((1-methyl-2-oxoindolin-3-ylidene)methyl)quinazolin-4(3H)-one is 413.0931 g/mol.
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