Basic information
- CAS
63979-53-3- Standard SMILES
COc1cc(C2c3cc4c(cc3CCN2C)OCO4)cc(OC)c1OC- InChIKey
YNNAIAGUISNRCA-UHFFFAOYSA-N- Molecular formula
- C20H23NO5
- Average molar mass
- 357.4 g/mol
- Monoisotopic mass
- 357.15762283
Names & identifiers
- Preferred name
- 1,3-Dioxolo(4,5-g)isoquinoline, 5,6,7,8-tetrahydro-6-methyl-5-(3,4,5-trimethoxyphenyl)-
- IUPAC
- 6-methyl-5-(3,4,5-trimethoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
- English name
- 5,6,7,8-Tetrahydro-6-methyl-5-(3,4,5-trimethoxyphenyl)-1,3-dioxolo[4,5-g]isoquinoline
- Molecular formula
- C20H23NO5
- Molecular weight
- 357.4
Names & synonyms
63979-53-32-Methyl-6,7-methylenedioxy-1,2,3,4-tetrahydro-1-(3,4,5-trimethoxyphenyl)isoquinoline1,3-Dioxolo(4,5-g)isoquinoline, 5,6,7,8-tetrahydro-6-methyl-5-(3,4,5-trimethoxyphenyl)-RefChem:2190235,6,7,8-Tetrahydro-6-methyl-5-(3,4,5-trimethoxyphenyl)-1,3-dioxolo[4,5-g]isoquinolineDTXSID40981546DB-3063126-Methyl-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinoline1-(3,4,5-trimethoxyphenyl)-2-methyl-6,7-methylenedioxy-1,2,3,4-tetrahydroisoquinoline1,3-Dioxolo[4,5-g]isoquinoline, 5,6,7,8-tetrahydro-6-methyl-5-(3,4,5-trimethoxyphenyl)-
Database identifiers
- CAS
63979-53-3- PubChem CID
- 45920
- DTXSID
DTXSID40981546- Nikkaji
- J83.745H
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 463
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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