Basic information
- CAS
39731-78-7- Standard SMILES
COc1cc2c(cc1OC)-c1cc(C(=O)N3CCN(C)CC3)c(C(=O)O)n1CC2.Cl- InChIKey
RQSUGDOYELIQBQ-UHFFFAOYSA-N- Molecular formula
- C21H26ClN3O5
- Average molar mass
- 435.9 g/mol
- Monoisotopic mass
- 435.1560986
Names & identifiers
- Preferred name
- Pyrrolo(2,1-a)isoquinoline-3-carboxylic acid, 5,6-dihydro-8,9-dimethoxy-2-((4-methyl-1-piperazinyl)carbonyl)-, monohydrochloride
- IUPAC
- 8,9-dimethoxy-2-(4-methylpiperazine-1-carbonyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid;hydrochloride
Names & synonyms
39731-78-7Pyrrolo(2,1-a)isoquinoline-3-carboxylic acid, 5,6-dihydro-8,9-dimethoxy-2-((4-methyl-1-piperazinyl)carbonyl)-, monohydrochlorideDTXSID60192819RefChem:378216DTXCID501153108,9-Dimethoxy-2-(4-methylpiperazine-1-carbonyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid--hydrogen chloride (1/1)
Database identifiers
- CAS
39731-78-7- PubChem CID
- 217852
- DTXSID
DTXSID60192819
Properties
Computed structural properties
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 623
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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