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

HCID 3690953
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
362487-28-3
Standard SMILES
CC1=C(C(=O)Nc2ccc(C)cn2)C(c2cccc(Oc3ccccc3)c2)C2=C(CCCC2=O)N1
InChIKey
RXYHNQSTRPUBKZ-UHFFFAOYSA-N
Molecular formula
C29H27N3O3
Average molar mass
465.5 g/mol
Monoisotopic mass
465.20524173

Names & identifiers

Preferred name
2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-4-(3-phenoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
IUPAC
2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-4-(3-phenoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
English name
2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-4-(3-phenoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
Molecular formula
C29H27N3O3
Molecular weight
465.54298

Names & synonyms

2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-4-(3-phenoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide362487-28-3ChemDiv1_006730Oprea1_661979Oprea1_860390HMS606B20AKOS001649091AKOS021995170NCGC00283495-012-methyl-N-(5-methylpyridin-2-yl)-5-oxo-4-(3-phenoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamideAB00141824-02AN-919/15231167
Show more names
SR-01000461313SR-01000461313-1

Database identifiers

CAS
362487-28-3
PubChem CID
3690953
EC Number
133-066-5

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
80.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
35
Formal charge
0
Complexity
872

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, 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Chemistry & industry

Suppliers2 total

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

Related reactions

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Compound notes

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