Basic information
- CAS
361195-53-1- Standard SMILES
COc1cc(C2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC- InChIKey
MGKLDFHVUXBAJG-UHFFFAOYSA-N- Molecular formula
- C27H31N3O5
- Average molar mass
- 477.6 g/mol
- Monoisotopic mass
- 477.2263711
Names & identifiers
- Preferred name
- 2,7,7-trimethyl-5-oxo-N-pyridin-2-yl-4-(3,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxamide
- IUPAC
- 2,7,7-trimethyl-5-oxo-N-pyridin-2-yl-4-(3,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxamide
- English name
- 2,7,7-trimethyl-5-oxo-N-(2-pyridinyl)-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
- Molecular formula
- C27H31N3O5
- Molecular weight
- 477.55214
Names & synonyms
2,7,7-trimethyl-5-oxo-N-(2-pyridinyl)-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide2,7,7-trimethyl-5-oxo-N-pyridin-2-yl-4-(3,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxamideOprea1_380340Oprea1_789179AN-919/15232167AKOS001648619AKOS021995110SR-01000461226SR-01000461226-1361195-53-1
Database identifiers
- CAS
361195-53-1- PubChem CID
- 2893403
- EC Number
- 133-072-8
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 98.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 881
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)
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
0 records
No reaction records under the current filter.
Compound notes
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