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Basic information
- Standard SMILES
CC(C)c1ccc(NN2C(=O)c3[nH]c4cc(Cl)ccc4c(=O)c3C2=O)cc1- InChIKey
RCLKFCJWNSMCIG-UHFFFAOYSA-N- Molecular formula
- C20H16ClN3O3
- Average molar mass
- 381.8 g/mol
- Monoisotopic mass
- 381.0880191
Names & identifiers
- Preferred name
- 6-chloro-2-(4-isopropylanilino)-2,3,4,9-tetrahydro-1H-pyrrolo[3,4-b]quinoline-1,3,9-trione
- IUPAC
- 6-chloro-2-(4-propan-2-ylanilino)-4H-pyrrolo[3,4-b]quinoline-1,3,9-trione
Names & synonyms
SCHEMBL6233755RCLKFCJWNSMCIG-UHFFFAOYSA-N6-chloro-2-(4-isopropylanilino)-2,3,4,9-tetrahydro-1H-pyrrolo[3,4-b]quinoline-1,3,9-trione
Database identifiers
- PubChem CID
- 21997694
Properties
Computed structural propertiesFilling in
- XLogP
- 4.6
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 697
Related reactions
2 records
Compound notes
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