Basic information
- CAS
850905-37-2- Standard SMILES
CC1CCN(C(=O)COc2cccc3c2CCN(Cc2ccccc2)C3=O)CC1- InChIKey
WZIGOIYVHSBVHA-UHFFFAOYSA-N- Molecular formula
- C24H28N2O3
- Average molar mass
- 392.5 g/mol
- Monoisotopic mass
- 392.20999276
Names & identifiers
- Preferred name
- 2-Benzyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-3,4-dihydroisoquinolin-1-one
- IUPAC
- 2-benzyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-3,4-dihydroisoquinolin-1-one
Names & synonyms
850905-37-22-benzyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-3,4-dihydroisoquinolin-1-one2-benzyl-5-(2-(4-methylpiperidin-1-yl)-2-oxoethoxy)-3,4-dihydroisoquinolin-1(2H)-one2-benzyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-1,2,3,4-tetrahydroisoquinolin-1-one2-benzyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-3,4-dihydroisoquinolin-1(2H)-oneMLS000685876IFLab1_002214CHEMBL1377358DTXSID801322813HMS1418E14HMS2740G23AKOS024583130
Show more names
SMR000323091F0556-0232
Database identifiers
- CAS
850905-37-2- PubChem CID
- 2151990
- DTXSID
DTXSID801322813- ChEMBL
CHEMBL1377358
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 566
Experimental & physicochemical properties
Solubility55.9 [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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