Basic information
- Standard SMILES
Cn1ccnc1Sc1ccc(Nc2c(C#N)cnc3ccc([N+](=O)[O-])cc23)cc1Cl- InChIKey
DQWNUCNHLIZZKQ-UHFFFAOYSA-N- Molecular formula
- C20H13ClN6O2S
- Average molar mass
- 436.9 g/mol
Names & identifiers
- Preferred name
- 4-[3-Chloro-4-(1-methyl-1H-imidazol-2-ylsulfanyl)-phenylamino]-6-nitro-quinoline-3-carbonitrile
- IUPAC
- 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-6-nitroquinoline-3-carbonitrile
Names & synonyms
SCHEMBL7001734DQWNUCNHLIZZKQ-UHFFFAOYSA-N4-[3-Chloro-4-(1-methyl-1H-imidazol-2-ylsulfanyl)-phenylamino]-6-nitro-quinoline-3-carbonitrile
Database identifiers
- PubChem CID
- 69957299
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 671
Related reactions
4 records
Compound notes
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