1-(4-iodophenyl)-2-(1-methyl-3,4-dihydro-2H-quinolin-1-ium-1-yl)ethanone
Basic information
- CAS
6267-57-8- Standard SMILES
C[N+]1(CC(=O)c2ccc(I)cc2)CCCc2ccccc21- InChIKey
RJYGNZIGNQIWJA-UHFFFAOYSA-N- Molecular formula
- C18H19INO+
- Average molar mass
- 392.3 g/mol
- Monoisotopic mass
- 392.05114
Names & identifiers
- Preferred name
- 1-(4-iodophenyl)-2-(1-methyl-3,4-dihydro-2H-quinolin-1-ium-1-yl)ethanone
- IUPAC
- 1-(4-iodophenyl)-2-(1-methyl-3,4-dihydro-2H-quinolin-1-ium-1-yl)ethanone
Names & synonyms
6267-57-8NSC345701-(4-iodophenyl)-2-(1-methyl-3,4-dihydro-2H-quinolin-1-ium-1-yl)ethanoneCHEMBL1884103DTXSID30328527NSC-34570NCGC00184492-011-[2-(4-Iodophenyl)-2-oxoethyl]-1-methyl-1,2,3,4-tetrahydroquinolin-1-ium
Database identifiers
- CAS
6267-57-8- PubChem CID
- 411403
- DTXSID
DTXSID30328527- ChEMBL
CHEMBL1884103
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 1
- Complexity
- 377
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Compound notes
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