6,7-Dimethoxy-1-methyl-3-(3,4-dimethoxyphenyl)isoquinoline
Basic information
- CAS
35989-93-6- Standard SMILES
COc1ccc(-c2cc3cc(OC)c(OC)cc3c(C)n2)cc1OC- InChIKey
PIHFLCZIKJMZFE-UHFFFAOYSA-N- Molecular formula
- C20H21NO4
- Average molar mass
- 339.4 g/mol
- Monoisotopic mass
- 339.14705815
Names & identifiers
- Preferred name
- 6,7-Dimethoxy-1-methyl-3-(3,4-dimethoxyphenyl)isoquinoline
- IUPAC
- 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-methylisoquinoline
Names & synonyms
35989-93-66,7-Dimethoxy-1-methyl-3-(3,4-dimethoxyphenyl)isoquinolineDTXSID20354259RefChem:306193DTXCID003053203-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-methylisoquinolineOprea1_087789Oprea1_781990SCHEMBL7822956PIHFLCZIKJMZFE-UHFFFAOYSA-NCCG-16330AKOS001598620
Show more names
SR-01000427785SR-01000427785-1
Database identifiers
- CAS
35989-93-6- PubChem CID
- 767418
- DTXSID
DTXSID20354259
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 421
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Related reactions
1 records
Compound notes
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