2-[(3-Cyano-6,7-dimethyl-2-quinolinyl)thio]-N-(2,3-dimethylphenyl)acetamide
Basic information
- CAS
1105188-82-6- Standard SMILES
Cc1cc2cc(C#N)c(SCC(=O)Nc3cccc(C)c3C)nc2cc1C- InChIKey
UHMXXJFEKOGDGF-UHFFFAOYSA-N- Molecular formula
- C22H21N3OS
- Average molar mass
- 375.5 g/mol
- Monoisotopic mass
- 375.14053348
Names & identifiers
- Preferred name
- 2-[(3-Cyano-6,7-dimethyl-2-quinolinyl)thio]-N-(2,3-dimethylphenyl)acetamide
- IUPAC
- 2-(3-cyano-6,7-dimethylquinolin-2-yl)sulfanyl-N-(2,3-dimethylphenyl)acetamide
Names & synonyms
2-[(3-CYANO-6,7-DIMETHYLQUINOLIN-2-YL)SULFANYL]-N-(2,3-DIMETHYLPHENYL)ACETAMIDEDTXSID0011429682-[(3-Cyano-6,7-dimethyl-2-quinolinyl)thio]-N-(2,3-dimethylphenyl)acetamideAKOS0006718881105188-82-6ST51048475
Database identifiers
- CAS
1105188-82-6- PubChem CID
- 43811366
- DTXSID
DTXSID001142968
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 91.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 573
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