2-Methyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Basic information
- CAS
313971-45-8- Standard SMILES
CC1=C(C#N)C(c2ccccc2)C2=C(CCCC2=O)N1- InChIKey
NCIVOIVRZVJBHG-UHFFFAOYSA-N- Molecular formula
- C17H16N2O
- Average molar mass
- 264.32 g/mol
- Monoisotopic mass
- 264.12626314
Names & identifiers
- Preferred name
- 2-Methyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
- IUPAC
- 2-methyl-5-oxo-4-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
- English name
- 2-methyl-5-oxo-4-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
- Molecular formula
- C17H16N2O
- Molecular weight
- 264.32174
Names & synonyms
2-methyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrileOprea1_432604Oprea1_871209STK373592AKOS000655134AKOS022065475ST50885360SR-01000409488SR-01000409488-12-methyl-5-oxo-4-phenyl-1,4,6,7,8-pentahydroquinoline-3-carbonitrile2-METHYL-5-OXO-4-PHENYL-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE2-methyl-5-oxo-4-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
Database identifiers
- CAS
313971-45-8- PubChem CID
- 3115013
- EC Number
- 121-884-5
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 541
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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