Basic information
- Standard SMILES
CN1CCN(c2cc(Cl)c3c(c2)NC(=O)C(C)(c2ccc(N)cc2)C3=O)CC1- InChIKey
CPLCVQLMXVPCHU-UHFFFAOYSA-N- Molecular formula
- C21H23ClN4O2
- Average molar mass
- 398.9 g/mol
Names & identifiers
- Preferred name
- 3-(4-amino-phenyl)-5-chloro-3-methyl-7-(4-methyl-piperazine-1-yl)-1H-quinoline-2,4-dione
- IUPAC
- 3-(4-aminophenyl)-5-chloro-3-methyl-7-(4-methylpiperazin-1-yl)-1H-quinoline-2,4-dione
Names & synonyms
SCHEMBL3856068CPLCVQLMXVPCHU-UHFFFAOYSA-N3-(4-amino-phenyl) -5-chloro-3-methyl-7-(4-methyl-piperazine-1-yl)-1H-quinoline-2,4-dione
Database identifiers
- PubChem CID
- 11675686
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 78.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 616
Related reactions
2 records
Compound notes
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