2-Quinoxalinecarboxamide, N,3-diphenyl-, 1,4-dioxide
Basic information
- CAS
104705-39-7- Standard SMILES
O=C(Nc1ccccc1)c1c(-c2ccccc2)[n+](=O)c2ccccc2n1[O-]- InChIKey
NBJTZENJEARXCL-UHFFFAOYSA-N- Molecular formula
- C21H15N3O3
- Average molar mass
- 357.4 g/mol
- Monoisotopic mass
- 357.11134135
Names & identifiers
- Preferred name
- 2-Quinoxalinecarboxamide, N,3-diphenyl-, 1,4-dioxide
- IUPAC
- 1-oxido-4-oxo-N,3-diphenylquinoxalin-4-ium-2-carboxamide
Names & synonyms
2-Quinoxalinecarboxamide, N,3-diphenyl-, 1,4-dioxide104705-39-7CHEMBL1254225DTXSID904373211,4-dioxido-N,3-diphenyl-quinoxaline-1,4-diium-2-carboxamide1-Oxo-2-phenyl-3-(phenylcarbamoyl)quinoxalin-1-ium-4(1H)-olate3-phenylquinoxaline-2-carboxylic acid phenylamide 1,4-di-N-oxide
Database identifiers
- CAS
104705-39-7- PubChem CID
- 10247735
- DTXSID
DTXSID90437321- ChEMBL
CHEMBL1254225- Nikkaji
- J1.502.100D
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 75.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 606
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Compound notes
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