1-(4-Methyl-3-nitrobenzoyl)-1,2,3,4-tetrahydroquinoline
Basic information
- CAS
329940-12-7- Standard SMILES
Cc1ccc(C(=O)N2CCCc3ccccc32)cc1[N+](=O)[O-]- InChIKey
CQCAYCUZOMDQSN-UHFFFAOYSA-N- Molecular formula
- C17H16N2O3
- Average molar mass
- 296.32 g/mol
- Monoisotopic mass
- 296.11609238
Names & identifiers
- Preferred name
- 1-(4-Methyl-3-nitrobenzoyl)-1,2,3,4-tetrahydroquinoline
- IUPAC
- 3,4-dihydro-2H-quinolin-1-yl-(4-methyl-3-nitrophenyl)methanone
- English name
- 3,4-dihydro-2H-quinolin-1-yl-(4-methyl-3-nitrophenyl)methanone
- Molecular formula
- C17H16N2O3
- Molecular weight
- 296.32
Names & synonyms
Oprea1_125282Oprea1_318884STK395878AKOS001594837CCG-346499ST010806EU-0036025AG-690/11634949SR-01000411285SR-01000411285-11-(4-methyl-3-nitrobenzoyl)-1,2,3,4-tetrahydroquinoline4-methyl-3-nitrophenyl 1,2,3,4-tetrahydroquinolyl ketone
Show more names
3,4-dihydro-2H-quinolin-1-yl-(4-methyl-3-nitrophenyl)methanoneMethanone, (3,4-dihydro-1(2H)-quinolinyl)(4-methyl-3-nitrophenyl)-
3,4-dihydroquinolin-1(2H)-yl(4-methyl-3-nitrophenyl)methanone(3,4-dihydroquinolin-1(2H)-yl)(4-methyl-3-nitrophenyl)methanone1-({3-nitro-4-methylphenyl}carbonyl)-1,2,3,4-tetrahydroquinoline
Database identifiers
- CAS
329940-12-7- PubChem CID
- 710816
- EC Number
- 169-387-2
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 434
Physicochemical properties
- Boiling point
- 486.1 · 486.1±45.0 °C(Predicted)
- Density
- 1.274 · 1.274±0.06 g/cm3(Predicted)
- pka
- -2.33 · -2.33±0.20(Predicted)
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Compound notes
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