Basic information
- CAS
63937-39-3- Standard SMILES
CN1CCc2cc3c(cc2C1CCc1ccc([N+](=O)[O-])cc1)OCO3- InChIKey
MZFGOOZAYYXRBX-UHFFFAOYSA-N- Molecular formula
- C19H20N2O4
- Average molar mass
- 340.4 g/mol
- Monoisotopic mass
- 340.14230712
Names & identifiers
- Preferred name
- Isoquinoline, 1,2,3,4-tetrahydro-2-methyl-6,7-methylenedioxy-1-(4-nitrophenethyl)-
- IUPAC
- 6-methyl-5-[2-(4-nitrophenyl)ethyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
- English name
- 5,6,7,8-Tetrahydro-6-methyl-5-(4-nitrophenethyl)-1,3-dioxolo[4,5-g]isoquinoline
- Molecular formula
- C19H20N2O4
- Molecular weight
- 340.37
Names & synonyms
63937-39-3Isoquinoline, 1,2,3,4-tetrahydro-2-methyl-6,7-methylenedioxy-1-(4-nitrophenethyl)-RefChem:1087731NIOSH/JI4883000JI48830000(+-)-1-(4'-Nitrophenaethyl)-2-methyl-6,7-methylendioxy-1,2,3,4-tetrahydro-isochinolin(+-)-5,6,7,8-Tetrahydro-6-methyl-5-(4-nitrophenethyl)-1,3-dioxolo(4,5-g)isoquinoline1,3-Dioxolo(4,5-g)isoquinoline, 5,6,7,8-tetrahydro-6-methyl-5-(4-nitrophenethyl)-, (+-)-BRN 10427331-(4-Nitrophenethyl)-2-methyl-6,7-methylenedioxy-1,2,3,4-tetrahydro-Isoquinoline, 2-methyl-6,7-methylenedioxy-1-(4-nitrophenethyl)-1,2,3,4-tetrahydro-DTXSID50981178
Show more names
1,3-Dioxolo[4,5-g]isoquinoline, 5,6,7,8-tetrahydro-6-methyl-5-[2-(4-nitrophenyl)ethyl]-
5,6,7,8-Tetrahydro-6-methyl-5-(4-nitrophenethyl)-1,3-dioxolo[4,5-g]isoquinolineDB-3063136-Methyl-5-[2-(4-nitrophenyl)ethyl]-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinoline
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 67.5 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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