TL;DR: 3-(3-(4-bromophenyl)-1-propionyl-4,5-dihydro-1H-pyrazol-5-yl)-7-ethoxyquinolin-2(1H)-one (CAS 361479-93-8) is a chemical compound with molecular formula C23H22BrN3O3 and molecular weight 467.08444 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[5-(4-bromophenyl)-2-propanoyl-3,4-dihydropyrazol-3-yl]-7-ethoxy-1H-quinolin-2-one
Also Known As: 3-(3-(4-bromophenyl)-1-propionyl-4,5-dihydro-1H-pyrazol-5-yl)-7-ethoxyquinolin-2(1H)-one, F0770-0075, 3-[5-(4-bromophenyl)-2-propanoyl-3,4-dihydropyrazol-3-yl]-7-ethoxy-1H-quinolin-2-one, 3-[3-(4-bromophenyl)-1-propanoyl-4,5-dihydro-1H-pyrazol-5-yl]-7-ethoxy-1,2-dihydroquinolin-2-one
| Molecular Formula | C23H22BrN3O3 |
| Molecular Weight | 467.08444 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 71.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 467.08444 Da |
| Heavy Atoms | 30 |
| Complexity | 729.0 |
| SMILES | CCC(=O)N1C(CC(=N1)C2=CC=C(C=C2)Br)C3=CC4=C(C=C(C=C4)OCC)NC3=O |
| InChIKey | UEGYBQDXSVEPOQ-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that 3-(3-(4-bromophenyl)-1-propionyl-4,5-dihydro-1H-pyrazol-5-yl)-7-ethoxyquinolin-2(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-(4-bromophenyl)-1-propionyl-4,5-dihydro-1H-pyrazol-5-yl)-7-ethoxyquinolin-2(1H)-one. Following Lipinski's Rule of Five, 3-(3-(4-bromophenyl)-1-propionyl-4,5-dihydro-1H-pyrazol-5-yl)-7-ethoxyquinolin-2(1H)-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-(3-(4-bromophenyl)-1-propionyl-4,5-dihydro-1H-pyrazol-5-yl)-7-ethoxyquinolin-2(1H)-one is 361479-93-8.
The molecular formula of 3-(3-(4-bromophenyl)-1-propionyl-4,5-dihydro-1H-pyrazol-5-yl)-7-ethoxyquinolin-2(1H)-one is C23H22BrN3O3.
The molecular weight of 3-(3-(4-bromophenyl)-1-propionyl-4,5-dihydro-1H-pyrazol-5-yl)-7-ethoxyquinolin-2(1H)-one is 467.08444 g/mol.
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