Basic information
- Standard SMILES
O=C1NC(=O)C(c2cn3c4c(cccc24)CCC3)=C1c1c[nH]c2ccc(Br)cc12- InChIKey
LLOCLQTXVAQSBK-UHFFFAOYSA-N- Molecular formula
- C23H16BrN3O2
- Average molar mass
- 446.3 g/mol
Names & identifiers
- Preferred name
- 3-(5,6-Dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(5-bromo-1H-indol-3-yl)-pyrrole-2,5-dione
- IUPAC
- 3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(5-bromo-1H-indol-3-yl)pyrrole-2,5-dione
Names & synonyms
SCHEMBL1395823LLOCLQTXVAQSBK-UHFFFAOYSA-N3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(5-bromo-1H-indol-3-yl) pyrrole-2,5-dione3-(5,6-Dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(5-bromo-1H-indol-3-yl)-pyrrole-2,5-dione3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(5-bromo-1H-indol-3-yl)pyrrole-2,5-dione3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1yl)-4-(5-bromo-1H-indol-3-yl)pyrrole-2,5-dione
Database identifiers
- PubChem CID
- 22556869
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 767
Related reactions
10 records
Compound notes
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