Oprea1_454418
4-[3-(2-chloro-7-ethoxyquinolin-3-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
Also Known As: Oprea1_454418|US10774063, Compound e|F0770-0045|4-(5-(2-chloro-7-ethoxyquinolin-3-yl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid|4-[3-(2-chloro-7-ethoxyquinolin-3-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid|4-[5-(2-chloro-7-ethoxyquinolin-3-yl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
| Molecular Formula | C25H24ClN3O4 |
|---|---|
| Molecular Weight | 465.14554 g/mol |
| LogP | 5.13782 |
| Topological Polar Surface Area | 92.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 465.14554 |
| Monoisotopic Mass | 465.14554 |
| Heavy Atoms | 33 |
| Complexity | 1240.3806 |
Chemical Identifiers
| CAS Number | 394239-76-0 |
|---|---|
| SMILES | CCOC1=CC2=NC(=C(C=C2C=C1)C3CC(=NN3C(=O)CCC(=O)O)C4=CC=C(C=C4)C)Cl |
Product Overview
Oprea1_454418 (CAS 394239-76-0), with molecular formula C25H24ClN3O4 and molecular weight 465.14554 g/mol. IUPAC: 4-[3-(2-chloro-7-ethoxyquinolin-3-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid.
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