Basic information
- CAS
372175-42-3- Standard SMILES
COc1ccc2c(c1)c(C(=O)CN1CCc3ccccc3C1)c(C)n2C- InChIKey
PZNGWUWKLSKFGY-UHFFFAOYSA-N- Molecular formula
- C22H24N2O2
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.18377801
Names & identifiers
- Preferred name
- 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone
- IUPAC
- 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone
Names & synonyms
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone372175-42-3MLS000768362CHEMBL1585501DTXSID801326039HMS2785I22AKOS005747189SMR0004316832-(3,4-Dihydro-1H-isoquinolin-2-yl)-1-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-ethanone2-(3,4-Dihydroisoquinolin-2(1H)-yl)-1-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)ethan-1-one2-(3,4-dihydroisoquinolin-2(1H)-yl)-1-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)ethanone
Database identifiers
- CAS
372175-42-3- PubChem CID
- 915527
- DTXSID
DTXSID801326039- ChEMBL
CHEMBL1585501
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 34.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 510
Experimental & physicochemical properties
Solubility29.6 [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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