1,2,3,4-Tetrahydro-6,7-dimethoxy-2-[(4-methoxy-3-nitrophenyl)acetyl]isoquinoline
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Basic information
- Standard SMILES
COc1cc2c(cc1OC)CN(C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)CC2- InChIKey
IXHDOLFBGNLYRM-UHFFFAOYSA-N- Molecular formula
- C20H22N2O6
- Average molar mass
- 386.4 g/mol
- Monoisotopic mass
- 386.14778643
Names & identifiers
- Preferred name
- 1,2,3,4-Tetrahydro-6,7-dimethoxy-2-[(4-methoxy-3-nitrophenyl)acetyl]isoquinoline
- IUPAC
- 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methoxy-3-nitrophenyl)ethanone
Names & synonyms
SCHEMBL8788739IXHDOLFBGNLYRM-UHFFFAOYSA-N1,2,3,4-Tetrahydro-6,7-dimethoxy-2-[(4-methoxy-3-nitrophenyl)acetyl]isoquinoline
Database identifiers
- PubChem CID
- 19974482
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 93.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 553
Related reactions
2 records
Compound notes
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