Basic information
- Standard SMILES
CCCC(=O)c1cnc2c(OCCS(C)=O)cccc2c1Nc1ccccc1C- InChIKey
XNTVAQRDRZKWDH-UHFFFAOYSA-N- Molecular formula
- C23H26N2O3S
- Average molar mass
- 410.5 g/mol
Names & identifiers
- Preferred name
- 3-Butyryl-4-(2-methylphenylamino)-8-(2-methylsulfinylethoxy)quinoline
- IUPAC
- 1-[4-(2-methylanilino)-8-(2-methylsulfinylethoxy)quinolin-3-yl]butan-1-one
Names & synonyms
SCHEMBL8187635XNTVAQRDRZKWDH-UHFFFAOYSA-NH-335/253-butyryl-4-(2-methylphenylamino)-8-(2-methylsulfinylethoxy)quinoline
Database identifiers
- PubChem CID
- 9931393
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 87.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 558
Related reactions
3 records
Compound notes
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