AC1NXK0T structure

AC1NXK0T

3-[2-acetyl-3-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-5-yl]-6-chloro-4-phenyl-1H-quinolin-2-one

Also Known As: Oprea1_097995|Oprea1_221424|BAS 00379502|AG-690/09795008|3-[1-acetyl-5-(3,4-dimethoxyphenyl)pyrazolidin-3-ylidene]-6-chloro-4-phenylquinolin-2-one|(3E)-3-[1-acetyl-5-(3,4-dimethoxyphenyl)pyrazolidin-3-ylidene]-6-chloro-4-phenylquinolin-2-one|1-[3-(6-chloro-2-hydroxy-4-phenylquinolin-3-yl)-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone|1-acetyl-5-(3,4-dimethoxyphenyl)-3-(6-chloro-2-oxo-4-phenyl(3-hydroquinolyl))- 2-pyrazoline|3-(1-acetyl-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl)-6-chloro-4-phenylquinolin-2(1H)-one|3-{1-acetyl-5-[3,4-bis(methyloxy)phenyl]-4,5-dihydro-1H-pyrazol-3-yl}-6-chloro-4-phenylquinolin-2(1H)-one

CAS: 331275-17-3
Molecular Formula C28H24ClN3O4
Molecular Weight 501.14554 g/mol
LogP 5.5633
Topological Polar Surface Area 83.99 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
Rotatable Bonds 5
Exact Mass 501.14554
Monoisotopic Mass 501.14554
Heavy Atoms 36
Complexity 1562.8618

Chemical Identifiers

CAS Number 331275-17-3
SMILES CC(=O)N1C(CC(=N1)C2=C(C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4)C5=CC(=C(C=C5)OC)OC

Product Overview

AC1NXK0T (CAS 331275-17-3), with molecular formula C28H24ClN3O4 and molecular weight 501.14554 g/mol. IUPAC: 3-[2-acetyl-3-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-5-yl]-6-chloro-4-phenyl-1H-quinolin-2-one.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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