Basic information
- Standard SMILES
CCOc1cc2ncc(C#N)c(NCc3ccc(Cl)c(Cl)c3)c2cc1OCC- InChIKey
KSTABQDMPVWBQA-UHFFFAOYSA-N- Molecular formula
- C21H19Cl2N3O2
- Average molar mass
- 416.3 g/mol
Names & identifiers
- Preferred name
- 4-(3,4-Dichlorophenylmethylamino)-6,7-diethoxy-3-quinolinecarbonitrile
- IUPAC
- 4-[(3,4-dichlorophenyl)methylamino]-6,7-diethoxyquinoline-3-carbonitrile
Names & synonyms
SCHEMBL6382357KSTABQDMPVWBQA-UHFFFAOYSA-N4-(3,4-Dichlorophenylmethylamino)-6,7-diethoxy-3-quinolinecarbonitrile
Database identifiers
- PubChem CID
- 10136640
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 543
Related reactions
3 records
Compound notes
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