Basic information
- Standard SMILES
Nc1cccc(-c2cc3[nH]c4ccc(O)cc4c3c3c2C(=O)NC3=O)c1- InChIKey
GQOYQTWGCSFWTB-UHFFFAOYSA-N- Molecular formula
- C20H13N3O3
- Average molar mass
- 343.3 g/mol
- Monoisotopic mass
- 343.09569129
Names & identifiers
- Preferred name
- 4-(3-aminophenyl)-9-hydroxypyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione
- IUPAC
- 4-(3-aminophenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione
Names & synonyms
CHEMBL2127974-(3-aminophenyl)-9-hydroxypyrrolo[3,4-c]carbazole-1,3(2H,6H)-dioneSCHEMBL5828330GQOYQTWGCSFWTB-UHFFFAOYSA-NBDBM50192362
Database identifiers
- PubChem CID
- 9997535
- ChEMBL
CHEMBL212797
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 611
Related reactions
1 records
Compound notes
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