6-(3-Formyl-1-pyrrolyl)-7-chloro-2,3(1H,4H)-quinoxalinedione
Basic information
- Standard SMILES
O=Cc1ccn(-c2cc3[nH]c(=O)c(=O)[nH]c3cc2Cl)c1- InChIKey
NNEJACRDBVLMDJ-UHFFFAOYSA-N- Molecular formula
- C13H8ClN3O3
- Average molar mass
- 289.67 g/mol
Names & identifiers
- Preferred name
- 6-(3-Formyl-1-pyrrolyl)-7-chloro-2,3(1H,4H)-quinoxalinedione
- IUPAC
- 1-(7-chloro-2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pyrrole-3-carbaldehyde
Names & synonyms
SCHEMBL8609428NNEJACRDBVLMDJ-UHFFFAOYSA-N6-(3-Formyl-1-pyrrolyl)-7-chloro-2,3(1H,4H)-quinoxalinedione
Database identifiers
- PubChem CID
- 22097089
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 80.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 445
Related reactions
2 records
Compound notes
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