Basic information
- Standard SMILES
CCOc1cc2ncc(C#N)c(Nc3ccc4c(c3)OCO4)c2cc1OCC- InChIKey
MXFNTSRVTMCEIX-UHFFFAOYSA-N- Molecular formula
- C21H19N3O4
- Average molar mass
- 377.4 g/mol
Names & identifiers
- Preferred name
- 4-(Benzo[1,3]dioxol-5-ylamino)-6,7-diethoxy-quinoline-3-carbonitrile
- IUPAC
- 4-(1,3-benzodioxol-5-ylamino)-6,7-diethoxyquinoline-3-carbonitrile
Names & synonyms
SCHEMBL4450732MXFNTSRVTMCEIX-UHFFFAOYSA-N4-(benzo[1,3]dioxol-5-ylamino)-6,7-diethoxy-quinoline-3-carbonitrile
Database identifiers
- PubChem CID
- 9842672
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 85.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 567
Related reactions
2 records
Compound notes
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