6,7-Dimethoxy-1-(4-nitrophenyl)-3,4-dihydroisoquinoline
Basic information
- CAS
10268-35-6- Standard SMILES
COc1cc2c(cc1OC)C(c1ccc([N+](=O)[O-])cc1)=NCC2- InChIKey
CQIOJOVNMUOUTO-UHFFFAOYSA-N- Molecular formula
- C17H16N2O4
- Average molar mass
- 312.32 g/mol
- Monoisotopic mass
- 312.111007
Names & identifiers
- Preferred name
- 6,7-Dimethoxy-1-(4-nitrophenyl)-3,4-dihydroisoquinoline
- IUPAC
- 6,7-dimethoxy-1-(4-nitrophenyl)-3,4-dihydroisoquinoline
Names & synonyms
6,7-dimethoxy-1-(4-nitrophenyl)-3,4-dihydroisoquinoline10268-35-66,7-dimethoxy-1-(4-nitro-phenyl)-3,4-dihydro-isoquinolineHMS543G06Maybridge1_000666Oprea1_311054DTXSID10383871CCG-234829
Database identifiers
- CAS
10268-35-6- PubChem CID
- 2797014
- DTXSID
DTXSID10383871- Nikkaji
- J2.276.177C
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 76.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 454
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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