Basic information
- CAS
82820-48-2- Standard SMILES
CN1C(=O)c2ccccc2C2(C1=O)C(C#N)=C(N)Oc1c2c2ccccc2c(=O)n1C- InChIKey
XUIBTSBVWSUXMS-UHFFFAOYSA-N- Molecular formula
- C23H16N4O4
- Average molar mass
- 412.4 g/mol
- Monoisotopic mass
- 412.117155
Names & identifiers
- Preferred name
- 3'-Amino-2,5'-dimethyl-1,3,6'-trioxospiro[isoquinoline-4,1'-pyrano[2,3-c]isoquinoline]-2'-carbonitrile
- IUPAC
- 3'-amino-2,5'-dimethyl-1,3,6'-trioxospiro[isoquinoline-4,1'-pyrano[2,3-c]isoquinoline]-2'-carbonitrile
Names & synonyms
82820-48-2NSC3646523'-amino-2,5'-dimethyl-1,3,6'-trioxospiro[isoquinoline-4,1'-pyrano[2,3-c]isoquinoline]-2'-carbonitrileDTXSID50320801NSC-3646523'-Amino-2,5'-dimethyl-1,3,6'-trioxo-2,3,5',6'-tetrahydro-1H-spiro[isoquinoline-4,1'-pyrano[2,3-c]isoquinoline]-2'-carbonitrile
Database identifiers
- CAS
82820-48-2- PubChem CID
- 339205
- DTXSID
DTXSID50320801
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 1,000
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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