Basic information
- CAS
39731-93-6- Standard SMILES
CCN(CC)CCOC(=O)c1cc2n(c1C(=O)O)CCc1cc(OC)c(OC)cc1-2- InChIKey
ZPONUDBMSOXLFI-UHFFFAOYSA-N- Molecular formula
- C22H28N2O6
- Average molar mass
- 416.5 g/mol
- Monoisotopic mass
- 416.19473662
Names & identifiers
- Preferred name
- Pyrrolo(2,1-a)isoquinoline-2,3-dicarboxylic acid, 5,6-dihydro-7,8-dimethoxy-, 2-(2-(diethylamino)ethyl) ester
- IUPAC
- 2-[2-(diethylamino)ethoxycarbonyl]-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid
- English name
- 5,6-Dihydro-7,8-dimethoxypyrrolo[2,1-a]isoquinoline-2,3-dicarboxylic acid 2-[2-(diethylamino)ethyl] ester
- Molecular weight
- 0
Names & synonyms
BRN 046116739731-93-6Pyrrolo(2,1-a)isoquinoline-2,3-dicarboxylic acid, 5,6-dihydro-7,8-dimethoxy-, 2-(2-(diethylamino)ethyl) esterDTXSID70192820RefChem:378208DTXCID101153112-{[2-(diethylamino)ethoxy]carbonyl}-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid5,6-Dihydro-7,8-dimethoxypyrrolo[2,1-a]isoquinoline-2,3-dicarboxylic acid 2-[2-(diethylamino)ethyl] ester
Database identifiers
- CAS
39731-93-6- PubChem CID
- 217854
- DTXSID
DTXSID70192820
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 90.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 598
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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