4-(2,4-Dichlorophenyl)-2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
Basic information
- CAS
400845-98-9- Standard SMILES
CC1=C(C(=O)Nc2ccc(C)cn2)C(c2ccc(Cl)cc2Cl)C2=C(CCCC2=O)N1- InChIKey
DRPXVZFRVWTWGG-UHFFFAOYSA-N- Molecular formula
- C23H21Cl2N3O2
- Average molar mass
- 442.3 g/mol
- Monoisotopic mass
- 441.1010823
Names & identifiers
- Preferred name
- 4-(2,4-Dichlorophenyl)-2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
- IUPAC
- 4-(2,4-dichlorophenyl)-2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
Names & synonyms
400845-98-94-(2,4-DICHLOROPHENYL)-2-METHYL-N-(5-METHYL-2-PYRIDINYL)-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXAMIDERefChem:510721648-387-04-(2,4-dichlorophenyl)-2-methyl-N-(5-methylpyridin-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamideOprea1_376927AKOS001648510AKOS021995061
Database identifiers
- CAS
400845-98-9- PubChem CID
- 3373750
- EC Number
- 648-387-0
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 778
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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