2-Cyano-4-(1-nonylquinolin-4(1H)-ylidene)-N-phenylbut-2-enamide
Basic information
- CAS
342385-32-4- Standard SMILES
CCCCCCCCCN1C=CC(=CC=C(C#N)C(=O)Nc2ccccc2)c2ccccc21- InChIKey
TUIFRAFUOSAGSZ-UHFFFAOYSA-N- Molecular formula
- C29H33N3O
- Average molar mass
- 439.6 g/mol
- Monoisotopic mass
- 439.26236269
Names & identifiers
- Preferred name
- 2-Cyano-4-(1-nonylquinolin-4(1H)-ylidene)-N-phenylbut-2-enamide
- IUPAC
- 2-cyano-4-(1-nonylquinolin-4-ylidene)-N-phenylbut-2-enamide
- English name
- 2-cyano-4-(1-nonyl-4(1H)-quinolinylidene)-N-phenyl-2-butenamide
- Molecular formula
- C29H33N3O
- Molecular weight
- 439.59
Names & synonyms
DTXSID001173290342385-32-42-Cyano-4-(1-nonylquinolin-4(1H)-ylidene)-N-phenylbut-2-enamide2-cyano-4-(1-nonyl-4(1H)-quinolinylidene)-N-phenyl-2-butenamide2-Butenamide, 2-cyano-4-(1-nonyl-4(1H)-quinolinylidene)-N-phenyl-
Database identifiers
- CAS
342385-32-4- PubChem CID
- 3567446
- DTXSID
DTXSID001173290
Properties
Computed structural properties
- XLogP
- 8.1
- Topological polar surface area
- 56.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 750
Physicochemical properties
- Boiling point
- 616 · 616.0±55.0 °C(Predicted)
- Density
- 1.132 · 1.132±0.06 g/cm3(Predicted)
- pka
- 10.39 · 10.39±0.70(Predicted)
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Compound notes
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