Basic information
- Standard SMILES
CCCC(=O)c1cnc2c(C)cccc2c1Nc1ccccc1CC- InChIKey
GTTQFZHNZWXONT-UHFFFAOYSA-N- Molecular formula
- C22H24N2O
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.18886339
Names & identifiers
- Preferred name
- 3-Butyryl-4-(2-ethylphenylamino)-8-methylquinoline
- IUPAC
- 1-[4-(2-ethylanilino)-8-methylquinolin-3-yl]butan-1-one
Names & synonyms
CHEMBL327824SCHEMBL9653475GTTQFZHNZWXONT-UHFFFAOYSA-NBDBM500319873-butyryl-4-(2-ethylphenylamino)-8-methylquinoline1-[4-(2-Ethyl-phenylamino)-8-methyl-quinolin-3-yl]-butan-1-one
Database identifiers
- PubChem CID
- 10246201
- ChEMBL
CHEMBL327824
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 438
Related reactions
3 records
Compound notes
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