Basic information
- Standard SMILES
CCc1c(C(=O)O)c(=O)c2ccc(Br)cc2n1C1CCCCC1- InChIKey
WLLFPWBWBIJMKH-UHFFFAOYSA-N- Molecular formula
- C18H20BrNO3
- Average molar mass
- 378.3 g/mol
Names & identifiers
- Preferred name
- Ethyl 7-bromo-1-cyclohexyl-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid
- IUPAC
- 7-bromo-1-cyclohexyl-2-ethyl-4-oxoquinoline-3-carboxylic acid
Names & synonyms
SCHEMBL7131485WLLFPWBWBIJMKH-UHFFFAOYSA-Nethyl 7-bromo-1-cyclohexyl-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid
Database identifiers
- PubChem CID
- 19081638
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 524
Related reactions
1 records
Compound notes
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