Basic information
- Standard SMILES
CC1=C(C#N)C(c2cccc([N+](=O)[O-])c2)C2=C(CCCC2=O)N1- InChIKey
IGCQPCVKAVMDBL-UHFFFAOYSA-N- Molecular formula
- C17H15N3O3
- Average molar mass
- 309.32 g/mol
Names & identifiers
- Preferred name
- 2-Methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
- IUPAC
- 2-methyl-4-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
Names & synonyms
2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrileCambridge id 5705977Oprea1_226728Oprea1_598344AG-690/11665687SCHEMBL8878451IGCQPCVKAVMDBL-UHFFFAOYSA-NSTK022858AKOS001485524AKOS021986320ST013431SR-01000409472
Show more names
SR-01000409472-13-Cyano-2-methyl-4-(3-nitrophenyl)-4, 6,7,8-tetrahydro-5(1H)quinolone3-Cyano-2-methyl-4-(3-nitrophenyl)-4,6,7,8-tetrahydro-5(1H)quinolone2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,6,7,8-pentahydroquinoline-3-carbonitrile4-{3-nitrophenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
Database identifiers
- PubChem CID
- 2863229
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 662
Related reactions
2 records
Compound notes
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