2,7,7-Trimethyl-N-(6-methyl-2-pyridinyl)-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
Basic information
- CAS
361194-50-5- Standard SMILES
CC1=C(C(=O)Nc2cccc(C)n2)C(c2ccc([N+](=O)[O-])cc2)C2=C(CC(C)(C)CC2=O)N1- InChIKey
MNMCMNJCJXYIIQ-UHFFFAOYSA-N- Molecular formula
- C25H26N4O4
- Average molar mass
- 446.5 g/mol
- Monoisotopic mass
- 446.19540532
Names & identifiers
- Preferred name
- 2,7,7-Trimethyl-N-(6-methyl-2-pyridinyl)-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
- IUPAC
- 2,7,7-trimethyl-N-(6-methyl-2-pyridinyl)-4-(4-nitrophenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
- English name
- SALOR-INT L218650-1EA
- Molecular formula
- C25H26N4O4
- Molecular weight
- 446.5
Names & synonyms
361194-50-52,7,7-TRIMETHYL-N-(6-METHYL-2-PYRIDINYL)-4-(4-NITROPHENYL)-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXAMIDERefChem:445893648-571-0SALOR-INT L218650-1EA2,7,7-Trimethyl-N-(6-methylpyridin-2-yl)-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamideOprea1_136390Oprea1_220756AKOS001648528AKOS0219950022,7,7-trimethyl-N-(6-methylpyridin-2-yl)-4-(4-nitrophenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamideEU-0041373
Show more names
3-Quinolinecarboxamide, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-N-(6-methyl-2-pyridinyl)-4-(4-nitrophenyl)-5-oxo-
AB00105162-01SR-01000461101SR-01000461101-1
Database identifiers
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 893
Physicochemical properties
- Boiling point
- 674.7 · 674.7±55.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- pka
- 11.83 · 11.83±0.60(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H302-H315-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H302-H315-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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