2-Methyl-4-[5-methyl-2-(methylsulfanyl)-3-thienyl]-5-oxo-N-(2-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
Basic information
- CAS
430471-08-2- Standard SMILES
CSc1sc(C)cc1C1C(C(=O)Nc2ccccn2)=C(C)NC2=C1C(=O)CCC2- InChIKey
CTTOXBWNMIYTSY-UHFFFAOYSA-N- Molecular formula
- C22H23N3O2S2
- Average molar mass
- 425.6 g/mol
- Monoisotopic mass
- 425.12316933
Names & identifiers
- Preferred name
- 2-Methyl-4-[5-methyl-2-(methylsulfanyl)-3-thienyl]-5-oxo-N-(2-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
- IUPAC
- 2-methyl-4-(5-methyl-2-methylsulfanylthiophen-3-yl)-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
- English name
- SALOR-INT L219797-1EA
- Molecular formula
- C22H23N3O2S2
- Molecular weight
- 425.57
Names & synonyms
430471-08-22-METHYL-4-[5-METHYL-2-(METHYLSULFANYL)-3-THIENYL]-5-OXO-N-(2-PYRIDINYL)-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXAMIDE2-METHYL-4-(5-METHYL-2-(METHYLSULFANYL)-3-THIENYL)-5-OXO-N-(2-PYRIDINYL)-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXAMIDERefChem:475516648-359-82-Methyl-4-(5-methyl-2-(methylthio)thiophen-3-yl)-5-oxo-N-(pyridin-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide2-methyl-4-[5-methyl-2-(methylthio)-3-thienyl]-5-oxo-N-2-pyridinyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamideCambridge id 6642665AKOS001647750AKOS021997444CCG-1110322-methyl-4-(5-methyl-2-methylsulfanylthiophen-3-yl)-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
Show more names
SALOR-INT L219797-1EA3-Quinolinecarboxamide, 1,4,5,6,7,8-hexahydro-2-methyl-4-[5-methyl-2-(methylthio)-3-thienyl]-5-oxo-N-2-pyridinyl-
SR-01000485377SR-01000485377-1
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 748
Physicochemical properties
- Boiling point
- 650 · 650.0±55.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- 11.88 · 11.88±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302-H335-H413-H315
- 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, P273, 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
- H319-H302-H335-H413-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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Related reactions
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Compound notes
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