Basic information
- Standard SMILES
C#Cc1cnc2ccc(OC(SC)C(=O)NC(C)(C#N)CO)cc2c1- InChIKey
DARMOQPESNYFNQ-UHFFFAOYSA-N- Molecular formula
- C18H17N3O3S
- Average molar mass
- 355.4 g/mol
Names & identifiers
- Preferred name
- N-(1-cyano-2-hydroxy-1-methyl-ethyl)-2-(3-ethynyl-quinolin-6-yloxy)-2-methylsulfanyl-acetamide
- IUPAC
- N-(2-cyano-1-hydroxypropan-2-yl)-2-(3-ethynylquinolin-6-yl)oxy-2-methylsulfanylacetamide
Names & synonyms
SCHEMBL633067DARMOQPESNYFNQ-UHFFFAOYSA-NN-(1-cyano-2-hydroxy-1-methyl-ethyl)-2-(3-ethynyl-quinolin-6-yloxy)-2-methylsulfanyl-acetamide
Database identifiers
- PubChem CID
- 59565307
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 581
Related reactions
2 records
Compound notes
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