6,7-Diethoxy-4-(indan-5-ylamino)-quinoline-3-carbonitrile
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Basic information
- Standard SMILES
CCOc1cc2ncc(C#N)c(Nc3ccc4c(c3)CCC4)c2cc1OCC- InChIKey
IRYNXXKQLIQSNU-UHFFFAOYSA-N- Molecular formula
- C23H23N3O2
- Average molar mass
- 373.4 g/mol
- Monoisotopic mass
- 373.17902698
Names & identifiers
- Preferred name
- 6,7-Diethoxy-4-(indan-5-ylamino)-quinoline-3-carbonitrile
- IUPAC
- 4-(2,3-dihydro-1H-inden-5-ylamino)-6,7-diethoxyquinoline-3-carbonitrile
Names & synonyms
SCHEMBL2204857IRYNXXKQLIQSNU-UHFFFAOYSA-N6,7-Diethoxy-4-(indan-5-ylamino)-quinoline-3-carbonitrile
Database identifiers
- PubChem CID
- 9969578
Properties
Computed structural propertiesFilling in
- XLogP
- 5.5
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 561
Related reactions
2 records
Compound notes
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