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Basic information
- CAS
81721-81-5- Standard SMILES
O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2Cc1ccco1- InChIKey
ZPFUGHSCVQWWBR-UHFFFAOYSA-N- Molecular formula
- C21H13NO3
- Average molar mass
- 327.3 g/mol
- Monoisotopic mass
- 327.08954328
Names & identifiers
- Preferred name
- 6-(2-Furylmethyl)-5H-indeno(1,2-c)isoquinoline-5,11(6H)-dione
- IUPAC
- 6-(furan-2-ylmethyl)indeno[1,2-c]isoquinoline-5,11-dione
Names & synonyms
81721-81-56-(2-Furylmethyl)-5H-indeno(1,2-c)isoquinoline-5,11(6H)-dioneNSC339703NSC 339703NSC-3397036-(furan-2-ylmethyl)-5H-indeno[1,2-c]isoquinoline-5,11(6H)-dione6-(2-Furylmethyl)-5H-indeno[1,2-c]isoquinoline-5,11(6H)-dioneCHEMBL2002731DTXSID60231297D325N73MY4STL523890AKOS030487381
Show more names
NCI60_003017DS-0057876-(2-furylmethyl)indeno[1,2-c]isoquinoline-5,11-dione5H-Indeno[1,2-c]isoquinoline-5,11(6H)-dione, 6-(2-furanylmethyl)-6-[(furan-2-yl)methyl]-5H,6H,11H-indeno[1,2-c]isoquinoline-5,11-dione6-[(Furan-2-yl)methyl]-5H-indeno[1,2-c]isoquinoline-5,11(6H)-dione
Database identifiers
- CAS
81721-81-5- PubChem CID
- 334472
- DTXSID
DTXSID60231297- ChEMBL
CHEMBL2002731- UNII
- D325N73MY4
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 50.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 625
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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