Basic information
- Standard SMILES
CC(=O)Nc1ccc(NC(=O)CC2CCc3cc(Br)cc4[nH]c(=O)c(=O)n2c34)cc1- InChIKey
GNKQNFQWZSFCMS-UHFFFAOYSA-N- Molecular formula
- C21H19BrN4O4
- Average molar mass
- 471.3 g/mol
Names & identifiers
- Preferred name
- 9-Bromo-5-(p-acetylaminophenylcarbamoylmethyl)-6,7-dihydro-1H, 5H-pyrido[1,2,3-de]quinoxaline-2,3-dione
- IUPAC
- N-(4-acetamidophenyl)-2-(7-bromo-2,3-dioxo-1,4-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-12-yl)acetamide
Names & synonyms
CHEMBL40090SCHEMBL9598408GNKQNFQWZSFCMS-UHFFFAOYSA-N9-Bromo-5-(p-acetylaminophenylcarbamoylmethyl)-6,7-dihydro-1H, 5H-pyrido[1,2,3-de]quinoxaline-2,3-dione
Database identifiers
- PubChem CID
- 44285394
- ChEMBL
CHEMBL40090
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 724
Related reactions
2 records
Compound notes
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