Pyrrolo(2,1-a)isoquinoline-3-carboxylic acid, 5,6-dihydro-8,9-dimethoxy-1-(dimethylaminomethyl)-2-methyl-, ethyl ester
Basic information
- CAS
20353-73-5- Standard SMILES
CCOC(=O)c1c(C)c(CN(C)C)c2n1CCc1cc(OC)c(OC)cc1-2- InChIKey
DVSRBABZVPNOBM-UHFFFAOYSA-N- Molecular formula
- C21H28N2O4
- Average molar mass
- 372.5 g/mol
- Monoisotopic mass
- 372.20490738
Names & identifiers
- Preferred name
- Pyrrolo(2,1-a)isoquinoline-3-carboxylic acid, 5,6-dihydro-8,9-dimethoxy-1-(dimethylaminomethyl)-2-methyl-, ethyl ester
- IUPAC
- ethyl 1-[(dimethylamino)methyl]-8,9-dimethoxy-2-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate
- English name
- 1-[(Dimethylamino)methyl]-5,6-dihydro-8,9-dimethoxy-2-methylpyrrolo[2,1-a]isoquinoline-3-carboxylic acid ethyl ester
- Molecular formula
- C21H28N2O4
- Molecular weight
- 372.46
Names & synonyms
BRN 045410820353-73-5Pyrrolo(2,1-a)isoquinoline-3-carboxylic acid, 5,6-dihydro-8,9-dimethoxy-1-(dimethylaminomethyl)-2-methyl-, ethyl esterDTXSID101742665-22-14-00315 (Beilstein Handbook Reference)RefChem:378213DTXCID7096757ethyl 1-[(dimethylamino)methyl]-8,9-dimethoxy-2-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylateEthyl 1-((dimethylamino)methyl)-8,9-dimethoxy-2-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate1-[(Dimethylamino)methyl]-5,6-dihydro-8,9-dimethoxy-2-methylpyrrolo[2,1-a]isoquinoline-3-carboxylic acid ethyl esterPyrrolo[2,1-a]isoquinoline-3-carboxylic acid, 1-[(dimethylamino)methyl]-5,6-dihydro-8,9-dimethoxy-2-methyl-, ethyl ester
Database identifiers
- CAS
20353-73-5- PubChem CID
- 209765
- DTXSID
DTXSID10174266- Nikkaji
- J49.691J
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 514
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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