Basic information
- Standard SMILES
COc1cccc(Nc2c(C(N)=O)cnc3c(C)cc(SCCCCCCCCCCCO)cc23)c1- InChIKey
NWXGRSZOWZGMCW-UHFFFAOYSA-N- Molecular formula
- C29H39N3O3S
- Average molar mass
- 509.7 g/mol
- Monoisotopic mass
- 509.27121329
Names & identifiers
- Preferred name
- 6-((11-Hydroxyundecyl)thio)-4-((3-methoxyphenyl)amino)-8-methylquinoline-3-carboxamide
- IUPAC
- 6-(11-hydroxyundecylsulfanyl)-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide
Names & synonyms
SCHEMBL1309594NWXGRSZOWZGMCW-UHFFFAOYSA-N6-((11-hydroxyundecyl)thio)-4-((3-methoxyphenyl)amino)-8-methylquinoline-3-carboxamide
Database identifiers
- PubChem CID
- 58505144
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 16
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 625
Related reactions
3 records
Compound notes
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