4-(1,3-Benzodioxol-5-ylmethylidene)isoquinoline-1,3-dione
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Basic information
- Standard SMILES
O=C1NC(=O)c2ccccc2C1=Cc1ccc2c(c1)OCO2- InChIKey
YQAYURQPWKSPDG-UHFFFAOYSA-N- Molecular formula
- C17H11NO4
- Average molar mass
- 293.27 g/mol
- Monoisotopic mass
- 293.06880783
Names & identifiers
- Preferred name
- 4-(1,3-Benzodioxol-5-ylmethylidene)isoquinoline-1,3-dione
- IUPAC
- 4-(1,3-benzodioxol-5-ylmethylidene)isoquinoline-1,3-dione
Names & synonyms
NCI60_029566
Database identifiers
- PubChem CID
- 388100
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 515
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Compound notes
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