2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-nitrophenyl)acetamide
Basic information
- CAS
879465-72-2- Standard SMILES
COc1cc2c(cc1OC)CN(CC(=O)Nc1cccc([N+](=O)[O-])c1)CC2- InChIKey
LDMFRYFOMDOKAM-UHFFFAOYSA-N- Molecular formula
- C19H21N3O5
- Average molar mass
- 371.4 g/mol
- Monoisotopic mass
- 371.14812078
Names & identifiers
- Preferred name
- 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-nitrophenyl)acetamide
- IUPAC
- 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-nitrophenyl)acetamide
Names & synonyms
2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-N-(3-nitrophenyl)acetamide2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-nitrophenyl)acetamide879465-72-2MLS001216545CHEMBL1571939DTXSID101320028HMS2877B12STK592029AKOS005513722SMR000544093
Database identifiers
- CAS
879465-72-2- PubChem CID
- 4897657
- DTXSID
DTXSID101320028- ChEMBL
CHEMBL1571939
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 96.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 526
Experimental & physicochemical properties
Solubility14.9 [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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