Basic information
- Standard SMILES
CCOc1cc2ncc(C#N)c(Nc3ccc4c(c3)C(=O)NC4=O)c2cc1OCC- InChIKey
COSYWMZOAGREHD-UHFFFAOYSA-N- Molecular formula
- C22H18N4O4
- Average molar mass
- 402.4 g/mol
Names & identifiers
- Preferred name
- 4-(1,3-Dioxo-2,3-dihydro-1H-isoindol-5-ylamino)-6,7-diethoxy-quinoline-3-carbonitrile
- IUPAC
- 4-[(1,3-dioxoisoindol-5-yl)amino]-6,7-diethoxyquinoline-3-carbonitrile
Names & synonyms
SCHEMBL4457358COSYWMZOAGREHD-UHFFFAOYSA-N4-(1,3-Dioxo-2,3-dihydro-1H-isoindol-5-ylamino)-6,7-diethoxy-quinoline-3-carbonitrile
Database identifiers
- PubChem CID
- 9801221
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 706
Related reactions
2 records
Compound notes
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