Basic information
- Standard SMILES
CCCC(=O)c1c[nH]c2c(C(=O)OC)cccc2c1=O- InChIKey
JCFGEJOXTYQUMY-UHFFFAOYSA-N- Molecular formula
- C15H15NO4
- Average molar mass
- 273.28 g/mol
Names & identifiers
- Preferred name
- methyl 3-butyryl-4(1H)-quinolone-8-carboxylate
- IUPAC
- methyl 3-butanoyl-4-oxo-1H-quinoline-8-carboxylate
Names & synonyms
SCHEMBL9723928JCFGEJOXTYQUMY-UHFFFAOYSA-Nmethyl 3-butyryl-4(1H)-quinolone-8-carboxylate
Database identifiers
- PubChem CID
- 10107336
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 72.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 455
Related reactions
1 records
Compound notes
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