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Basic information
- Standard SMILES
CC(Sc1nc2ccccc2cc1-c1ccccc1)C(=O)N(C)C- InChIKey
YSLJUQZRWVCNKQ-UHFFFAOYSA-N- Molecular formula
- C20H20N2OS
- Average molar mass
- 336.5 g/mol
- Monoisotopic mass
- 336.12963444
Names & identifiers
- Preferred name
- 2-[1-(Dimethylcarbamoyl)ethylthio]-3-phenylquinoline
- IUPAC
- N,N-dimethyl-2-(3-phenylquinolin-2-yl)sulfanylpropanamide
Names & synonyms
SCHEMBL10978512YSLJUQZRWVCNKQ-UHFFFAOYSA-N2-[1-(dimethylcarbamoyl)ethylthio]-3-phenylquinoline
Database identifiers
- PubChem CID
- 13200210
Properties
Computed structural propertiesFilling in
- XLogP
- 4.6
- Topological polar surface area
- 58.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 422
Related reactions
2 records
Compound notes
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