Basic information
- Standard SMILES
O=c1cc(-c2cccnc2SCc2ccccc2)[nH]c2ccccc12- InChIKey
PBRXXWVGFJLIPQ-UHFFFAOYSA-N- Molecular formula
- C21H16N2OS
- Average molar mass
- 344.4 g/mol
Names & identifiers
- Preferred name
- 2-[2-[(phenylmethyl)thio]-3-pyridinyl]-4(1H)-quinolinone
- IUPAC
- 2-(2-benzylsulfanyl-3-pyridinyl)-1H-quinolin-4-one
Names & synonyms
SCHEMBL9247982PBRXXWVGFJLIPQ-UHFFFAOYSA-N2-[2-[(phenylmethyl)thio]-3-pyridinyl]-4(1H)-quinolinone2-[2-[(phenylmethyl)thio]-3-pyridinyl]-4 (1H)-quinolinone
Database identifiers
- PubChem CID
- 20087897
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 67.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 500
Related reactions
2 records
Compound notes
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