TL;DR: (Z)-2-((5-bromo-1-ethyl-2-oxoindolin-3-ylidene)methyl)-3-ethylquinazolin-4(3H)-one (CAS 799826-05-4) is a chemical compound with molecular formula C21H18BrN3O2 and molecular weight 423.05823 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(Z)-(5-bromo-1-ethyl-2-oxoindol-3-ylidene)methyl]-3-ethylquinazolin-4-one
Also Known As: (Z)-2-((5-bromo-1-ethyl-2-oxoindolin-3-ylidene)methyl)-3-ethylquinazolin-4(3H)-one, 2-[(5-bromo-1-ethyl-2-oxo-indol-3-ylidene)methyl]-3-ethyl-quinazolin-4-one, 2-[(Z)-(5-bromo-1-ethyl-2-oxoindol-3-ylidene)methyl]-3-ethylquinazolin-4-one, 2-[(Z)-(5-bromo-1-ethyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-3-ethylquinazolin-4(3H)-one
| Molecular Formula | C21H18BrN3O2 |
| Molecular Weight | 423.05823 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 53.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 423.05823 Da |
| Heavy Atoms | 27 |
| Complexity | 689.0 |
| SMILES | CCN1C2=C(C=C(C=C2)Br)/C(=C/C3=NC4=CC=CC=C4C(=O)N3CC)/C1=O |
| InChIKey | ZWPKCMHGTJOOQK-VBKFSLOCSA-N |
The XLogP value of 3.3 indicates that (Z)-2-((5-bromo-1-ethyl-2-oxoindolin-3-ylidene)methyl)-3-ethylquinazolin-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)-2-((5-bromo-1-ethyl-2-oxoindolin-3-ylidene)methyl)-3-ethylquinazolin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-2-((5-bromo-1-ethyl-2-oxoindolin-3-ylidene)methyl)-3-ethylquinazolin-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)-2-((5-bromo-1-ethyl-2-oxoindolin-3-ylidene)methyl)-3-ethylquinazolin-4(3H)-one is 799826-05-4.
The molecular formula of (Z)-2-((5-bromo-1-ethyl-2-oxoindolin-3-ylidene)methyl)-3-ethylquinazolin-4(3H)-one is C21H18BrN3O2.
The molecular weight of (Z)-2-((5-bromo-1-ethyl-2-oxoindolin-3-ylidene)methyl)-3-ethylquinazolin-4(3H)-one is 423.05823 g/mol.
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