AC1O1JSZ
5-[5-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-(2-chlorophenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid
Also Known As: 5-(3-(6-bromo-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-5-oxopentanoic acid|F0770-0058|5-[3-(6-bromo-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoic acid|5-[5-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-(2-chlorophenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid|5-[(3E)-3-(6-bromo-2-oxo-4-phenylquinolin-3-ylidene)-5-(2-chlorophenyl)pyrazolidin-1-yl]-5-oxopentanoic acid|5-[(3Z)-3-(6-bromo-2-oxo-4-phenylquinolin-3-ylidene)-5-(2-chlorophenyl)pyrazolidin-1-yl]-5-oxopentanoic acid|5-[3-(6-bromo-2-hydroxy-4-phenylquinolin-3-yl)-5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoic acid|5-[3-(6-bromo-2-oxo-4-phenylquinolin-3-ylidene)-5-(2-chlorophenyl)pyrazolidin-1-yl]-5-oxopentanoic acid
| Molecular Formula | C29H23BrClN3O4 |
|---|---|
| Molecular Weight | 591.056 g/mol |
| LogP | 6.5436 |
| Topological Polar Surface Area | 102.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 591.056 |
| Monoisotopic Mass | 591.056 |
| Heavy Atoms | 38 |
| Complexity | 1634.4534 |
Chemical Identifiers
| CAS Number | 394239-91-9 |
|---|---|
| SMILES | C1C(N(N=C1C2=C(C3=C(C=CC(=C3)Br)NC2=O)C4=CC=CC=C4)C(=O)CCCC(=O)O)C5=CC=CC=C5Cl |
Product Overview
AC1O1JSZ (CAS 394239-91-9), with molecular formula C29H23BrClN3O4 and molecular weight 591.056 g/mol. IUPAC: 5-[5-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-(2-chlorophenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid.