Basic information
- CAS
882748-20-1- Standard SMILES
COc1ccc(OC)c2nc(-c3ccccc3)c(C#N)cc12- InChIKey
AQMMQSSPMNYPPC-UHFFFAOYSA-N- Molecular formula
- C18H14N2O2
- Average molar mass
- 290.3 g/mol
- Monoisotopic mass
- 290.10552769
Names & identifiers
- Preferred name
- 5,8-Dimethoxy-2-phenyl-3-quinolinecarbonitrile
- IUPAC
- 5,8-dimethoxy-2-phenylquinoline-3-carbonitrile
- English name
- 5,8-Dimethoxy-2-phenyl-3-quinolinecarbonitrile
- Molecular formula
- C18H14N2O2
- Molecular weight
- 290.32
Names & synonyms
882748-20-15,8-dimethoxy-2-phenylquinoline-3-carbonitrile5,8-dimethoxy-2-phenyl-3-quinolinecarbonitrileMFCD08064780DTXSID701249595AKOS005106815AA-08085,8-dimethoxy-2-phenyl-quinoline-3-carbonitrile3-Quinolinecarbonitrile, 5,8-dimethoxy-2-phenyl-
Database identifiers
- CAS
882748-20-1- PubChem CID
- 16413769
- DTXSID
DTXSID701249595
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 413
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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