Pyrrolo(2,1-a)isoquinoline-3-carboxylic acid, 5,6-dihydro-2-((3-(dibutylamino)propyl)carbamoyl)-8,9-dimethoxy-, monohydrochloride
Basic information
- CAS
39731-76-5- Standard SMILES
CCCCN(CCCC)CCCNC(=O)c1cc2n(c1C(=O)O)CCc1cc(OC)c(OC)cc1-2- InChIKey
LOOCRCWVDAEUJC-UHFFFAOYSA-N- Molecular formula
- C27H39N3O5
- Average molar mass
- 485.6 g/mol
- Monoisotopic mass
- 485.28897135
Names & identifiers
- Preferred name
- Pyrrolo(2,1-a)isoquinoline-3-carboxylic acid, 5,6-dihydro-2-((3-(dibutylamino)propyl)carbamoyl)-8,9-dimethoxy-, monohydrochloride
- IUPAC
- 2-[3-(dibutylamino)propylcarbamoyl]-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid
Names & synonyms
39731-76-5DTXSID00192818Pyrrolo(2,1-a)isoquinoline-3-carboxylic acid, 5,6-dihydro-2-((3-(dibutylamino)propyl)carbamoyl)-8,9-dimethoxy-, monohydrochlorideRefChem:378211DTXCID401153092-{[3-(dibutylamino)propyl]carbamoyl}-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acidPyrrolo(2,1-a)isoquinoline-3-carboxylic acid, 5,6-dihydro-2-((3-(dibutylamino)propyl)carbamoyl)-8,9-dimethoxy-
Database identifiers
- CAS
39731-76-5- PubChem CID
- 217851
- DTXSID
DTXSID00192818
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 93 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 14
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 669
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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