Basic information
- Standard SMILES
Cc1ccc2c(c1)c(N1CCN(C(=O)c3cccs3)CC1)c(C#N)c(=O)n2CCN1CCCC1- InChIKey
AUJCAZKLDKKKGX-UHFFFAOYSA-N- Molecular formula
- C26H29N5O2S
- Average molar mass
- 475.6 g/mol
- Monoisotopic mass
- 475.20419636
Names & identifiers
- Preferred name
- 6-Methyl-2-oxo-1-(2-pyrrolidin-1-yl-ethyl)-4-[4-(thiophene-2-carbonyl)-piperazin-1-yl]-1,2-dihydro-quinolin-3-carbonitrile
- IUPAC
- 6-methyl-2-oxo-1-(2-pyrrolidin-1-ylethyl)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
Names & synonyms
SCHEMBL5529367AUJCAZKLDKKKGX-UHFFFAOYSA-N6-Methyl-2-oxo-1-(2-pyrrolidin-1-yl-ethyl)-4-[4-(thiophene-2-carbonyl)-piperazin-1-yl]-1,2-dihydro-quinolin-3-carbonitrile
Database identifiers
- PubChem CID
- 21081982
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 868
Related reactions
5 records
Compound notes
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