N-(5-Bromo-2-pyridinyl)-2-methyl-4-[5-methyl-2-(methylsulfanyl)-3-thienyl]-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
Basic information
- CAS
441783-92-2- Standard SMILES
CSc1sc(C)cc1C1C(C(=O)Nc2ccc(Br)cn2)=C(C)NC2=C1C(=O)CCC2- InChIKey
GSOPHVKPNXSDEW-UHFFFAOYSA-N- Molecular formula
- C22H22BrN3O2S2
- Average molar mass
- 504.5 g/mol
- Monoisotopic mass
- 503.03368
Names & identifiers
- Preferred name
- N-(5-Bromo-2-pyridinyl)-2-methyl-4-[5-methyl-2-(methylsulfanyl)-3-thienyl]-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
- IUPAC
- N-(5-bromo-2-pyridinyl)-2-methyl-4-(5-methyl-2-methylsulfanylthiophen-3-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
- English name
- SALOR-INT L219770-1EA
- Molecular formula
- C22H22BrN3O2S2
- Molecular weight
- 504.46
Names & synonyms
441783-92-2N-(5-BROMO-2-PYRIDINYL)-2-METHYL-4-[5-METHYL-2-(METHYLSULFANYL)-3-THIENYL]-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXAMIDEN-(5-BROMO-2-PYRIDINYL)-2-METHYL-4-(5-METHYL-2-(METHYLSULFANYL)-3-THIENYL)-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXAMIDERefChem:828062648-357-7N-(5-Bromopyridin-2-yl)-2-methyl-4-(5-methyl-2-(methylthio)thiophen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamideChemDiv1_009489HMS613P07AKOS001647658AKOS021997456SR-01000485389SR-01000485389-1
Show more names
SALOR-INT L219770-1EA
Database identifiers
- CAS
441783-92-2- PubChem CID
- 5083159
- EC Number
- 648-357-7
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 784
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319-H315-H335
- 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-H319-H315-H335
- 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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