Basic information
- CAS
66940-28-1- Standard SMILES
CC(=O)OCc1cc(-c2nc3ccccc3[nH]c2=O)nn1-c1ccc(Cl)cc1- InChIKey
RITSXOYLEZQQKE-UHFFFAOYSA-N- Molecular formula
- C20H15ClN4O3
- Average molar mass
- 394.8 g/mol
- Monoisotopic mass
- 394.083268
Names & identifiers
- Preferred name
- (1-(4-Chlorophenyl)-3-(3-hydroxy-2-quinoxalinyl)-1H-pyrazol-5-yl)methyl acetate
- IUPAC
- [1-(4-chlorophenyl)-3-(3-oxo-4H-quinoxalin-2-yl)pyrazol-5-yl]methyl acetate
Names & synonyms
66940-28-1(1-(4-Chlorophenyl)-3-(3-hydroxy-2-quinoxalinyl)-1H-pyrazol-5-yl)methyl acetateNSC339161NSC-339161(1-(4-Chlorophenyl)-3-(3-oxo-3,4-dihydroquinoxalin-2-yl)-1H-pyrazol-5-yl)methyl acetateMLS000758536[1-(4-chlorophenyl)-3-(3-oxo-3,4-dihydroquinoxalin-2-yl)-1H-pyrazol-5-yl]methyl acetateNSC 339161CT7BUQ3N85CHEMBL1373396DTXSID30985619HMS2885J21
Show more names
NCGC00246795-01SMR000528965(1-(4-Chlorophenyl)-3-(3-oxo-3,4-dihydroquinoxalin-2-yl)-1H-pyrazol-5-yl)methylacetate[1-(4-Chlorophenyl)-3-(3-hydroxyquinoxalin-2-yl)-1H-pyrazol-5-yl]methyl acetate[2-(4-chlorophenyl)-5-(3-hydroxyquinoxalin-2-yl)pyrazol-3-yl]methyl acetate2(1H)-Quinoxalinone, 3-[5-[(acetyloxy)methyl]-1-(4-chlorophenyl)-1H-pyrazol-3-yl]-3-[5-[(Acetyloxy)methyl]-1-(4-chlorophenyl)-1H-pyrazol-3-yl]-2(1H)-quinoxalinone
Database identifiers
- CAS
66940-28-1- PubChem CID
- 334334
- DTXSID
DTXSID30985619- ChEMBL
CHEMBL1373396- UNII
- CT7BUQ3N85
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 85.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 635
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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