4-({3-chloro-4-[(1-methyl-1H-imidazole-2-yl)thio]phenyl}amino)-7-(4-pyrrolidin-1-ylpiperidin-1-yl)quinoline-3-carbonitrile
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Basic information
- Standard SMILES
Cn1ccnc1Sc1ccc(Nc2c(C#N)cnc3cc(N4CCC(N5CCCC5)CC4)ccc23)cc1Cl- InChIKey
LUCNEZTULLWQNZ-UHFFFAOYSA-N- Molecular formula
- C29H30ClN7S
- Average molar mass
- 544.1 g/mol
- Monoisotopic mass
- 543.1971929
Names & identifiers
- Preferred name
- 4-({3-chloro-4-[(1-methyl-1H-imidazole-2-yl)thio]phenyl}amino)-7-(4-pyrrolidin-1-ylpiperidin-1-yl)quinoline-3-carbonitrile
- IUPAC
- 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-7-(4-pyrrolidin-1-ylpiperidin-1-yl)quinoline-3-carbonitrile
Names & synonyms
SCHEMBL2968191LUCNEZTULLWQNZ-UHFFFAOYSA-N4-({3-chloro-4-[(1-methyl-1H-imidazole-2-yl)thio]phenyl}amino)-7-(4-pyrrolidin-1-ylpiperidin-1-yl)quinoline-3-carbonitrile
Database identifiers
- PubChem CID
- 68460554
Properties
Computed structural propertiesFilling in
- XLogP
- 6.3
- Topological polar surface area
- 98.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 825
Related reactions
1 records
Compound notes
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