Basic information
- CAS
39731-66-3- Standard SMILES
CCCCNC(=O)c1cc2n(c1C(=O)O)CCc1cc(OC)c(OC)cc1-2- InChIKey
AYUJNWLCYNCQTK-UHFFFAOYSA-N- Molecular formula
- C20H24N2O5
- Average molar mass
- 372.4 g/mol
- Monoisotopic mass
- 372.16852187
Names & identifiers
- Preferred name
- Pyrrolo(2,1-a)isoquinoline-3-carboxylic acid, 5,6-dihydro-2-(butylcarbamoyl)-8,9-dimethoxy-
- IUPAC
- 2-(butylcarbamoyl)-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid
- English name
- 2-(Butylaminocarbonyl)-5,6-dihydro-8,9-dimethoxypyrrolo[2,1-a]isoquinoline-3-carboxylic acid
- Molecular weight
- 0
Names & synonyms
Pyrrolo(2,1-a)isoquinoline-3-carboxylic acid, 5,6-dihydro-2-(butylcarbamoyl)-8,9-dimethoxy-39731-66-32-(butylcarbamoyl)-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid2-(Butylcarbamoyl)-8,9-dimethoxy-5,6-dihydropyrrolo(2,1-a)isoquinoline-3-carboxylic acidBRN 0455690DTXSID801928162-(Butylaminocarbonyl)-5,6-dihydro-8,9-dimethoxypyrrolo[2,1-a]isoquinoline-3-carboxylic acid
Database identifiers
- CAS
39731-66-3- PubChem CID
- 217849
- DTXSID
DTXSID80192816- Nikkaji
- J72.944B
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 89.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 542
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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