ChemDiv1_007536
4-[5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
Also Known As: ChemDiv1_007536|HMS608G12|SR-01000466628-1|4-(3-(6-chloro-2-hydroxy-4-phenylquinolin-3-yl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid|4-[3-(6-chloro-2-hydroxy-4-phenylquinolin-3-yl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid|F0714-0001|4-(3-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid|4-[(3Z)-3-(6-chloro-2-oxo-4-phenylquinolin-3-ylidene)-5-(4-fluorophenyl)pyrazolidin-1-yl]-4-oxobutanoic acid|4-[3-(6-chloro-2-oxo-4-phenyl(3-hydroquinolyl))-5-(4-fluorophenyl)(2-pyrazolin yl)]-4-oxobutanoic acid|4-[3-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid|4-[3-(6-chloro-2-oxo-4-phenylquinolin-3-ylidene)-5-(4-fluorophenyl)pyrazolidin-1-yl]-4-oxobutanoic acid|4-[5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
| Molecular Formula | C28H21ClFN3O4 |
|---|---|
| Molecular Weight | 517.1205 g/mol |
| LogP | 5.5301 |
| Topological Polar Surface Area | 102.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 517.1205 |
| Monoisotopic Mass | 517.1205 |
| Heavy Atoms | 37 |
| Complexity | 1600.0695 |
Chemical Identifiers
| CAS Number | 378779-69-2 |
|---|---|
| SMILES | C1C(N(N=C1C2=C(C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4)C(=O)CCC(=O)O)C5=CC=C(C=C5)F |
Product Overview
ChemDiv1_007536 (CAS 378779-69-2), with molecular formula C28H21ClFN3O4 and molecular weight 517.1205 g/mol. IUPAC: 4-[5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid.