2-(5-methoxy-1-oxoisoquinolin-2-yl)-N-(2-phenylethyl)acetamide
Basic information
- CAS
868223-71-6- Standard SMILES
COc1cccc2c(=O)n(CC(=O)NCCc3ccccc3)ccc12- InChIKey
IRBBYIIROZAEBD-UHFFFAOYSA-N- Molecular formula
- C20H20N2O3
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 336.1473925
Names & identifiers
- Preferred name
- 2-(5-methoxy-1-oxoisoquinolin-2-yl)-N-(2-phenylethyl)acetamide
- IUPAC
- 2-(5-methoxy-1-oxoisoquinolin-2-yl)-N-(2-phenylethyl)acetamide
Names & synonyms
868223-71-62-(5-methoxy-1-oxoisoquinolin-2-yl)-N-(2-phenylethyl)acetamideF1808-0055MLS000419478CHEMBL1426884DTXSID401326182HMS2749N05SMSSF-0384993AKOS024610122SMR000320240AB00658880-022-(1-keto-5-methoxy-2-isoquinolyl)-N-phenethyl-acetamide
Show more names
2-(5-methoxy-1-oxoisoquinolin-2(1H)-yl)-N-phenethylacetamideN-phenethyl(5-methoxy-1-oxo-1,2-dihydro-2-isoquinolyl)acetamide2-(5-methoxy-1-oxoisoquinolin-2(1H)-yl)-N-(2-phenylethyl)acetamide
Database identifiers
- CAS
868223-71-6- PubChem CID
- 2149371
- DTXSID
DTXSID401326182- ChEMBL
CHEMBL1426884
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 499
Experimental & physicochemical properties
Solubility1.6 [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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