Basic information
- CAS
790681-53-7- Standard SMILES
N#CC(C#N)=Cc1cc2ccccc2nc1N1CCCCC1- InChIKey
WICCROUGNIICAE-UHFFFAOYSA-N- Molecular formula
- C18H16N4
- Average molar mass
- 288.3 g/mol
- Monoisotopic mass
- 288.13749653
Names & identifiers
- Preferred name
- 2-[(2-Piperidin-1-ylquinolin-3-yl)methylidene]propanedinitrile
- IUPAC
- 2-[(2-piperidin-1-ylquinolin-3-yl)methylidene]propanedinitrile
Names & synonyms
MLS000590644SMR0002191142-(2-Piperidin-1-yl-quinolin-3-ylmethylene)-malononitrile2-((2-(piperidin-1-yl)quinolin-3-yl)methylene)malononitrile{[2-(piperidin-1-yl)quinolin-3-yl]methylidene}propanedinitrile790681-53-72-[(2-piperidin-1-ylquinolin-3-yl)methylidene]propanedinitrileHMS2537I09cid_930489CHEMBL1387580BDBM94314DTXSID80358995
Show more names
HMS1789D14Propanedinitrile, [[2-(1-piperidinyl)-3-quinolinyl]methylene]-STK552970AKOS001082944AB00554950-03SR-010000589392-[(2-piperidino-3-quinolyl)methylene]malononitrileSR-01000058939-1
Database identifiers
- CAS
790681-53-7- PubChem CID
- 930489
- DTXSID
DTXSID80358995- ChEMBL
CHEMBL1387580
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 496
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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