4-Amino-5,8-dimethoxy-2-(1,1,2,2,2-pentafluoroethyl)-3-quinolinecarbonitrile
Basic information
- Standard SMILES
COc1ccc(OC)c2c(N)c(C#N)c(C(F)(F)C(F)(F)F)nc12- InChIKey
BGMUZNANPQUDEH-UHFFFAOYSA-N- Molecular formula
- C14H10F5N3O2
- Average molar mass
- 347.24 g/mol
- Monoisotopic mass
- 347.06931738
Overview
4-amino-5,8-dimethoxy-2-(1,1,2,2,2-pentafluoroethyl)-3-quinolinecarbonitrile is an aminoquinoline.
Names & identifiers
- Preferred name
- 4-Amino-5,8-dimethoxy-2-(1,1,2,2,2-pentafluoroethyl)-3-quinolinecarbonitrile
- IUPAC
- 4-amino-5,8-dimethoxy-2-(1,1,2,2,2-pentafluoroethyl)quinoline-3-carbonitrile
Names & synonyms
4-amino-5,8-dimethoxy-2-(1,1,2,2,2-pentafluoroethyl)-3-quinolinecarbonitrile4-amino-5,8-dimethoxy-2-(1,1,2,2,2-pentafluoroethyl)quinoline-3-carbonitrileSMR000034394MLS000078156MLS002581920CHEMBL1420011CHEBI:106031DTXSID701348189HMS2318M10STK767338AKOS001650862NCGC00020512-01
Show more names
NCGC00020512-02ST051772SR-01000002386SR-01000002386-2Q271838314-amino-5,8-dimethoxy-2-(pentafluoroethyl)quinoline-3-carbonitrile4-amino-5,8-dimethoxy-2-(perfluoroethyl)quinoline-3-carbonitrile
Database identifiers
- PubChem CID
- 660695
- DTXSID
DTXSID701348189- ChEMBL
CHEMBL1420011- ChEBI
CHEBI:106031
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 81.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 506
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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