Basic information
- Standard SMILES
CCOC(=O)c1cn(C2CCCCC2)c2cc(I)ccc2c1=O- InChIKey
LOSVFVCPSPZGGX-UHFFFAOYSA-N- Molecular formula
- C18H20INO3
- Average molar mass
- 425.3 g/mol
- Monoisotopic mass
- 425.04879
Names & identifiers
- Preferred name
- Ethyl 1-cyclohexyl-7-iodo-4-oxo-1,4-dihydro-quinoline-3-carboxylate
- IUPAC
- ethyl 1-cyclohexyl-7-iodo-4-oxoquinoline-3-carboxylate
Names & synonyms
SCHEMBL7129782LOSVFVCPSPZGGX-UHFFFAOYSA-Nethyl 1-cyclohexyl-7-iodo-4-oxo-1,4-dihydro-quinoline-3-carboxylate
Database identifiers
- PubChem CID
- 19081790
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 498
Related reactions
1 records
Compound notes
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