N-((1-Acetyl-1,2,3,4-tetrahydro-6-methyl-5-nitro-2-quinolyl)methyl)-N-(1-methylethyl)acetamide
Basic information
- CAS
56181-75-0- Standard SMILES
CC(=O)N(CC1CCc2c(ccc(C)c2[N+](=O)[O-])N1C(C)=O)C(C)C- InChIKey
DBLZDMNSPRGMCP-UHFFFAOYSA-N- Molecular formula
- C18H25N3O4
- Average molar mass
- 347.4 g/mol
- Monoisotopic mass
- 347.18450629
Names & identifiers
- Preferred name
- N-((1-Acetyl-1,2,3,4-tetrahydro-6-methyl-5-nitro-2-quinolyl)methyl)-N-(1-methylethyl)acetamide
- IUPAC
- N-[(1-acetyl-6-methyl-5-nitro-3,4-dihydro-2H-quinolin-2-yl)methyl]-N-propan-2-ylacetamide
- English name
- N-[(1-acetyl-1,2,3,4-tetrahydro-6-methyl-5-nitro-2-quinolyl)methyl]-N-(1-methylethyl)acetamide
- Molecular formula
- C18H25N3O4
- Molecular weight
- 347.41
Names & synonyms
56181-75-0EINECS 260-037-5DTXSID10971570DBLZDMNSPRGMCP-UHFFFAOYSA-NN-((1-Acetyl-1,2,3,4-tetrahydro-6-methyl-5-nitro-2-quinolyl)methyl)-N-(1-methylethyl)acetamideN-[(1-Acetyl-6-methyl-5-nitro-1,2,3,4-tetrahydroquinolin-2-yl)methyl]-N-(propan-2-yl)acetamideNS00054680N-[[(1-Acetyl-1,2,3,4-tetrahydro-6-methyl-5-nitroquinolin)-2-yl]methyl]-N-isopropylacetamideN-[(1-acetyl-1,2,3,4-tetrahydro-6-methyl-5-nitro-2-quinolyl)methyl]-N-(1-methylethyl)acetamideAcetamide, N-[(1-acetyl-1,2,3,4-tetrahydro-6-methyl-5-nitro-2-quinolinyl)methyl]-N-(1-methylethyl)-
Database identifiers
- CAS
56181-75-0- PubChem CID
- 92047
- DTXSID
DTXSID10971570- EC Number
- 260-037-5
- Nikkaji
- J296.600J
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 86.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 531
Physicochemical properties
- Boiling point
- 579.5 · 579.5±50.0 °C(Predicted)
- Density
- 1.177 · 1.177±0.06 g/cm3(Predicted)
- pka
- -0.6 · -0.60±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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