1,3-Dioxolo(4,5-g)isoquinoline, 7-methyl-5-(3,4-(methylenedioxy)phenethyl)-
Basic information
- CAS
20226-11-3- Standard SMILES
Cc1cc2cc3c(cc2c(CCc2ccc4c(c2)OCO4)n1)OCO3- InChIKey
BMDCQPXVYLJDJJ-UHFFFAOYSA-N- Molecular formula
- C20H17NO4
- Average molar mass
- 335.4 g/mol
- Monoisotopic mass
- 335.11575802
Names & identifiers
- Preferred name
- 1,3-Dioxolo(4,5-g)isoquinoline, 7-methyl-5-(3,4-(methylenedioxy)phenethyl)-
- IUPAC
- 5-[2-(1,3-benzodioxol-5-yl)ethyl]-7-methyl-[1,3]dioxolo[4,5-g]isoquinoline
Names & synonyms
20226-11-31,3-Dioxolo(4,5-g)isoquinoline, 7-methyl-5-(3,4-(methylenedioxy)phenethyl)-DTXSID001740731,3-Dioxolo(4,5-g)isoquinoline, 7-methyl-5-(3,4-(methylenedioxy)phenylethyl)-7-Methyl-5-(3,4-(methylenedioxy)phenethyl)-1,3-dioxolo(4,5-g)isoquinolineRefChem:219038DTXCID00965645-(2-(Benzo[d][1,3]dioxol-5-yl)ethyl)-7-methyl-[1,3]dioxolo[4,5-g]isoquinoline5-[2-(2H-1,3-BENZODIOXOL-5-YL)ETHYL]-7-METHYL-2H-[1,3]DIOXOLO[4,5-G]ISOQUINOLINE
Database identifiers
- CAS
20226-11-3- PubChem CID
- 209706
- DTXSID
DTXSID00174073
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 475
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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