Basic information
- CAS
311791-54-5- Standard SMILES
COC(=O)C1=C(N)N(c2cccc([N+](=O)[O-])c2)C2=C(C(=O)CC(C)(C)C2)C1c1cccnc1- InChIKey
BZXJXKJLFAYPTQ-UHFFFAOYSA-N- Molecular formula
- C24H24N4O5
- Average molar mass
- 448.5 g/mol
- Monoisotopic mass
- 448.17466988
Names & identifiers
- Preferred name
- methyl 2-amino-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carboxylate
- IUPAC
- methyl 2-amino-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carboxylate
Names & synonyms
methyl 2-amino-1-{3-nitrophenyl}-7,7-dimethyl-5-oxo-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylateOprea1_398621AG-205/37022122MFCD01240568AKOS001710047methyl 2-amino-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carboxylateSR-01000518041SR-01000518041-1METHYL 2-AMINO-7,7-DIMETHYL-1-(3-NITROPHENYL)-5-OXO-4-(3-PYRIDINYL)-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXYLATEmethyl 2-amino-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Database identifiers
- CAS
311791-54-5- PubChem CID
- 3690955
- EC Number
- 135-202-9
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 903
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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