Basic information
- CAS
179543-89-6- Standard SMILES
COc1ccc(NN2C(=O)c3[nH]c4cc(Cl)ccc4c(=O)c3C2=O)c(C)c1- InChIKey
XVUSXVNFAZHHID-UHFFFAOYSA-N- Molecular formula
- C19H14ClN3O4
- Average molar mass
- 383.8 g/mol
- Monoisotopic mass
- 383.0672836
Names & identifiers
- Preferred name
- 6-Chloro-2-[(4-methoxy-2-methylphenyl)amino]-1H-pyrrolo[3,4-b]quinoline-1,3,9(2H,4H)-trione
- IUPAC
- 6-chloro-2-(4-methoxy-2-methylanilino)-4H-pyrrolo[3,4-b]quinoline-1,3,9-trione
Names & synonyms
SCHEMBL6236235DTXSID701121333179543-89-66-Chloro-2-[(4-methoxy-2-methylphenyl)amino]-1H-pyrrolo[3,4-b]quinoline-1,3,9(2H,4H)-trione6-Chloro-2-(4-methoxy-2-methylanilino)-1H-pyrrolo[3,4-b]quinoline-1,3,9(2H,4H)-trione
Database identifiers
- CAS
179543-89-6- PubChem CID
- 21997685
- DTXSID
DTXSID701121333
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 709
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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