4-(3-Chlorophenyl)-2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
Basic information
- CAS
361195-97-3- Standard SMILES
CC1=C(C(=O)Nc2cc(C)ccn2)C(c2cccc(Cl)c2)C2=C(CCCC2=O)N1- InChIKey
IFSSTGXQTJGBNE-UHFFFAOYSA-N- Molecular formula
- C23H22ClN3O2
- Average molar mass
- 407.9 g/mol
- Monoisotopic mass
- 407.1400546
Names & identifiers
- Preferred name
- 4-(3-Chlorophenyl)-2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
- IUPAC
- 4-(3-chlorophenyl)-2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
- English name
- SALOR-INT L218839-1EA
- Molecular formula
- C23H22ClN3O2
- Molecular weight
- 407.89
Names & synonyms
361195-97-34-(3-chlorophenyl)-2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamideRefChem:513152648-475-94-(3-chlorophenyl)-2-methyl-N-(4-methylpyridin-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide4-(3-chlorophenyl)-2-methyl-N-(4-methylpyridin-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamideOprea1_236419Oprea1_607989AN-919/15232189AKOS001648583AKOS021995143SR-01000461269
Show more names
SALOR-INT L218839-1EA3-Quinolinecarboxamide, 4-(3-chlorophenyl)-1,4,5,6,7,8-hexahydro-2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-
SR-01000461269-1
Database identifiers
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 744
Physicochemical properties
- Boiling point
- 650.4 · 650.4±55.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- 11.87 · 11.87±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H335-H319-H315
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
- H302-H335-H319-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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