Basic information
- CAS
65990-96-7- Standard SMILES
Cc1c(Cc2ccccc2)[n+](=O)c2ccccc2n1[O-]- InChIKey
DKSRBWOIQVNXQO-UHFFFAOYSA-N- Molecular formula
- C16H14N2O2
- Average molar mass
- 266.29 g/mol
- Monoisotopic mass
- 266.10552769
Names & identifiers
- Preferred name
- 2-Benzyl-3-methyl-1-oxoquinoxalin-1-ium-4(1h)-olate
- IUPAC
- 2-benzyl-3-methyl-4-oxidoquinoxalin-1-ium 1-oxide
Names & synonyms
MLS00310628365990-96-72-benzyl-3-methyl-1-oxoquinoxalin-1-ium-4(1h)-olateNSC149312CHEMBL1774809DTXSID00302172NSC-149312SMR001821192
Database identifiers
- CAS
65990-96-7- PubChem CID
- 288322
- DTXSID
DTXSID00302172- ChEMBL
CHEMBL1774809- Nikkaji
- J2.045.007J
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 46.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 413
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…