Basic information
- Standard SMILES
C/C=C/COC(C)C1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21- InChIKey
JFEUWHWUEKXKKU-VOTSOKGWSA-N- Molecular formula
- C24H29NO2
- Average molar mass
- 363.5 g/mol
Names & identifiers
- Preferred name
- 4-{1-[(2E)-but-2-en-1-yloxy]ethyl}-6-(2-methoxyphenyl)-2,2-dimethyl-1,2-dihydroquinoline
- IUPAC
- 4-[1-[(E)-but-2-enoxy]ethyl]-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline
Names & synonyms
CHEMBL397018SCHEMBL4702542BDBM18736dihydroquinoline-based ligand, 25JFEUWHWUEKXKKU-VOTSOKGWSA-N4-{1-[((E)-but-2-enyl)oxy]ethyl}-6-(2-methoxyphenyl)-2,2-dimethyl-2H-quinoline4-{1-[(2E)-but-2-en-1-yloxy]ethyl}-6-(2-methoxyphenyl)-2,2-dimethyl-1,2-dihydroquinoline
Database identifiers
- PubChem CID
- 10316670
- ChEMBL
CHEMBL397018
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 538
Related reactions
8 records
Compound notes
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