Basic information
- Standard SMILES
CCCCCCCSCc1[nH]c2ccccc2c(=O)c1C- InChIKey
XWCIQXQIHZGMCP-UHFFFAOYSA-N- Molecular formula
- C18H25NOS
- Average molar mass
- 303.5 g/mol
Names & identifiers
- Preferred name
- 2-[(heptylsulfanyl)methyl]-3-methylquinolin-4(1H)-one
- IUPAC
- 2-(heptylsulfanylmethyl)-3-methyl-1H-quinolin-4-one
Names & synonyms
SCHEMBL3098820XWCIQXQIHZGMCP-UHFFFAOYSA-N2-[(heptylsulfanyl)methyl]-3-methylquinolin-4(1H)-one
Database identifiers
- PubChem CID
- 59527255
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 377
Related reactions
4 records
Compound notes
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