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2-Methyl-N-(5-methyl-2-pyridinyl)-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide

HCID 5085597
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
361195-74-6
Standard SMILES
CC1=C(C(=O)Nc2ccc(C)cn2)C(c2cccc([N+](=O)[O-])c2)C2=C(CCCC2=O)N1
InChIKey
KEFNKNFXYKMYHO-UHFFFAOYSA-N
Molecular formula
C23H22N4O4
Average molar mass
418.4 g/mol
Monoisotopic mass
418.1641052

Names & identifiers

Preferred name
2-Methyl-N-(5-methyl-2-pyridinyl)-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
IUPAC
2-methyl-N-(5-methyl-2-pyridinyl)-4-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
English name
SALOR-INT L219266-1EA
Molecular formula
C23H22N4O4
Molecular weight
418.45

Names & synonyms

361195-74-62-METHYL-N-(5-METHYL-2-PYRIDINYL)-4-(3-NITROPHENYL)-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXAMIDERefChem:475902648-370-82-Methyl-N-(5-methylpyridin-2-yl)-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamideOprea1_004006Oprea1_310716AKOS001648538AKOS021995124EU-0007969SR-01000461245SR-01000461245-1
Show more names
SALOR-INT L219266-1EA

Database identifiers

CAS
361195-74-6
PubChem CID
5085597
EC Number
648-370-8

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
117 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
31
Formal charge
0
Complexity
828

Physicochemical properties

Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H335-H319-H302
Precautionary statements
264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501

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 · 4 items

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
H315-H335-H319-H302
Precautionary statements
P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501

Chemistry & industry

Suppliers2 total

西格玛奥德里奇(上海)贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—

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Compound notes

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