Basic information
- Standard SMILES
COCCOc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(C#N)cnc2cc1N1CCC(N2CCCC2)CC1- InChIKey
ISQZJWPETICYPN-UHFFFAOYSA-N- Molecular formula
- C32H36ClN7O2S
- Average molar mass
- 618.2 g/mol
Names & identifiers
- Preferred name
- 4-({3-chloro-4-[(1-methyl-1H-imidazole-2-yl)thio]phenyl}amino)-6-(2-methoxyethoxy)-7-(4-pyrrolidin-1-ylpiperidin-1-yl)quinoline-3-carbonitrile
- IUPAC
- 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-6-(2-methoxyethoxy)-7-(4-pyrrolidin-1-ylpiperidin-1-yl)quinoline-3-carbonitrile
Names & synonyms
SCHEMBL2976171ISQZJWPETICYPN-UHFFFAOYSA-N4-({3-chloro-4-[(1-methyl-1H-imidazole-2-yl)thio]phenyl}amino)-6-(2-methoxyethoxy)-7-(4-pyrrolidin-1-ylpiperidin-1-yl)quinoline-3-carbonitrile
Database identifiers
- PubChem CID
- 68463500
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 929
Related reactions
1 records
Compound notes
Loading…