Basic information
- CAS
39731-73-2- Standard SMILES
COc1cc2c(cc1OC)-c1cc(C(=O)NCCN3CCOCC3)c(C(=O)O)n1CC2- InChIKey
YARIAQSYDLQFHL-UHFFFAOYSA-N- Molecular formula
- C22H27N3O6
- Average molar mass
- 429.5 g/mol
- Monoisotopic mass
- 429.18998559
Names & identifiers
- Preferred name
- Pyrrolo(2,1-a)isoquinoline-3-carboxylic acid, 5,6-dihydro-8,9-dimethoxy-2-(((2-(4-morpholinyl)ethyl)amino)carbonyl)-
- IUPAC
- 8,9-dimethoxy-2-(2-morpholin-4-ylethylcarbamoyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid
Names & synonyms
BRN 059381439731-73-2Pyrrolo(2,1-a)isoquinoline-3-carboxylic acid, 5,6-dihydro-8,9-dimethoxy-2-(((2-(4-morpholinyl)ethyl)amino)carbonyl)-DTXSID40192817RefChem:378214DTXCID801153088,9-dimethoxy-2-{[2-(morpholin-4-yl)ethyl]carbamoyl}-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid
Database identifiers
- CAS
39731-73-2- PubChem CID
- 217850
- DTXSID
DTXSID40192817
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 643
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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