TL;DR: 7-Nitro-8-quinolinol 2-(3-chlorobenzylidene)propanoate (CAS 29002-30-0) is a chemical compound with molecular formula C19H13ClN2O4 and molecular weight 368.0564 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(7-nitroquinolin-8-yl) 3-(3-chlorophenyl)-2-methylprop-2-enoate
Also Known As: 7-Nitro-8-quinolinol2- propanoate, 7-Nitro-8-quinolinol 2-(3-chlorobenzylidene)propanoate
| Molecular Formula | C19H13ClN2O4 |
| Molecular Weight | 368.0564 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 85.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.0564 Da |
| Heavy Atoms | 26 |
| Complexity | 562.0 |
| SMILES | CC(=CC1=CC(=CC=C1)Cl)C(=O)OC2=C(C=CC3=C2N=CC=C3)[N+](=O)[O-] |
| InChIKey | GQMPQAZGEZGKGB-UHFFFAOYSA-N |
The XLogP value of 4.9 indicates that 7-Nitro-8-quinolinol 2-(3-chlorobenzylidene)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Nitro-8-quinolinol 2-(3-chlorobenzylidene)propanoate. Following Lipinski's Rule of Five, 7-Nitro-8-quinolinol 2-(3-chlorobenzylidene)propanoate has 0 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 7-Nitro-8-quinolinol 2-(3-chlorobenzylidene)propanoate is 29002-30-0.
The molecular formula of 7-Nitro-8-quinolinol 2-(3-chlorobenzylidene)propanoate is C19H13ClN2O4.
The molecular weight of 7-Nitro-8-quinolinol 2-(3-chlorobenzylidene)propanoate is 368.0564 g/mol.
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