Pyrrolo(2,1-a)isoquinoline-3-carboxylic acid, 5,6-dihydro-8,9-dimethoxy-2-methyl-, 3-piperidinopropyl ester
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Basic information
- CAS
20353-70-2- Standard SMILES
COc1cc2c(cc1OC)-c1cc(C)c(C(=O)OCCCN3CCCCC3)n1CC2- InChIKey
RWTVMFXRXLIRPB-UHFFFAOYSA-N- Molecular formula
- C24H32N2O4
- Average molar mass
- 412.5 g/mol
- Monoisotopic mass
- 412.23620751
Names & identifiers
- Preferred name
- Pyrrolo(2,1-a)isoquinoline-3-carboxylic acid, 5,6-dihydro-8,9-dimethoxy-2-methyl-, 3-piperidinopropyl ester
- IUPAC
- 3-piperidin-1-ylpropyl 8,9-dimethoxy-2-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate
- English name
- 5,6-Dihydro-8,9-dimethoxy-2-methylpyrrolo[2,1-a]isoquinoline-3-carboxylic acid 3-piperidinopropyl ester
- Molecular formula
- C24H32N2O4
- Molecular weight
- 412.52
Names & synonyms
20353-70-2BRN 0500994Pyrrolo(2,1-a)isoquinoline-3-carboxylic acid, 5,6-dihydro-8,9-dimethoxy-2-methyl-, 3-piperidinopropyl esterDTXSID50174265RefChem:378218DTXCID20967563-(piperidin-1-yl)propyl 8,9-dimethoxy-2-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate5,6-dihydro-8,9-dimethoxy-2-methylpyrrolo[2,1-a]isoquinoline-3-carboxylic acid 3-piperidinopropyl esterPyrrolo[2,1-a]isoquinoline-3-carboxylic acid, 5,6-dihydro-8,9-dimethoxy-2-methyl-, 3-(1-piperidinyl)propyl ester
Database identifiers
- CAS
20353-70-2- PubChem CID
- 209764
- DTXSID
DTXSID50174265- Nikkaji
- J49.666I
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 567
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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