1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,3-dimethyl-4(1H)-pyridinone
Basic information
- CAS
866138-49-0- Standard SMILES
COc1ccc2[nH]cc(CCn3ccc(=O)c(C)c3C)c2c1- InChIKey
YMNGOAAGWZTKEI-UHFFFAOYSA-N- Molecular formula
- C18H20N2O2
- Average molar mass
- 296.4 g/mol
- Monoisotopic mass
- 296.15247789
Names & identifiers
- Preferred name
- 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,3-dimethyl-4(1H)-pyridinone
- IUPAC
- 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,3-dimethylpyridin-4-one
Names & synonyms
866138-49-01-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,3-dimethyl-4(1H)-pyridinone1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,3-dimethylpyridin-4-oneMFCD04126191MLS000696468CHEMBL1719451DTXSID401326037HMS2726I091-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,3-dimethyl-pyridin-4-oneAKOS005102597SMR0003365798W-0902
Show more names
SR-01000306881SR-01000306881-11-[2-(5-Methoxy-1H-indol-3-yl)ethyl]-2,3-dimethylpyridin-4(1H)-one1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,3-dimethyl-1,4-dihydropyridin-4-one
Database identifiers
- CAS
866138-49-0- PubChem CID
- 3829344
- DTXSID
DTXSID401326037- ChEMBL
CHEMBL1719451
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 497
Experimental & physicochemical properties
Solubility42.2 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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