Basic information
- Standard SMILES
CCCC(=O)NC1=CC(=O)c2ccc(C)nc2C1=O- InChIKey
DERUEVFMMRKSCH-UHFFFAOYSA-N- Molecular formula
- C14H14N2O3
- Average molar mass
- 258.27 g/mol
- Monoisotopic mass
- 258.10044231
Names & identifiers
- Preferred name
- 7-Butyramido-2-methylquinoline-5,8-dione
- IUPAC
- N-(2-methyl-5,8-dioxoquinolin-7-yl)butanamide
Names & synonyms
162219-17-27-butyramido-2-methylquinoline-5,8-dioneN-(2-methyl-5,8-dioxo-5,8-dihydroquinolin-7-yl)butyramideCHEMBL224238SCHEMBL5925157DTXSID80457679DERUEVFMMRKSCH-UHFFFAOYSA-N7-Butyramido-2-Methylquinoline-5.8-Dione7-butyramido-2-methylquinoline- 5,8-dione7 - BUTYRAMIDO - 2 -METHYLQUINOLINE - 5,8 - DIONEN-(2-Methyl-5,8-dioxo-5,8-dihydroquinolin-7-yl)butanamide
Database identifiers
- CAS
162219-17-2- PubChem CID
- 11172933
- DTXSID
DTXSID80457679- ChEMBL
CHEMBL224238
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 442
Related reactions
13 records
Linked notes
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