Basic information
- CAS
355826-56-1- Standard SMILES
Cc1ccc(C(=O)C(C)OC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccc(C)cc23)cc1- InChIKey
QWRMNZAAMNAXND-UHFFFAOYSA-N- Molecular formula
- C27H22ClNO3
- Average molar mass
- 443.9 g/mol
- Monoisotopic mass
- 443.1288213
Names & identifiers
- Preferred name
- 1-ME-2-(4-Methylphenyl)-2-oxoethyl 2-(4-chloro-PH)-6-ME-4-quinolinecarboxylate
- IUPAC
- [1-(4-methylphenyl)-1-oxopropan-2-yl] 2-(4-chlorophenyl)-6-methylquinoline-4-carboxylate
- English name
- SALOR-INT L206687-1EA
- Molecular formula
- C27H22ClNO3
- Molecular weight
- 443.92
Names & synonyms
355826-56-11-ME-2-(4-METHYLPHENYL)-2-OXOETHYL 2-(4-CHLORO-PH)-6-ME-4-QUINOLINECARBOXYLATERefChem:433414632-097-61-Oxo-1-(p-tolyl)propan-2-yl 2-(4-chlorophenyl)-6-methylquinoline-4-carboxylate1-(4-methylphenyl)-1-oxopropan-2-yl 2-(4-chlorophenyl)-6-methylquinoline-4-carboxylateOprea1_419608AK-918/41197974STK269800AKOS003259817AKOS022072416[1-(4-methylphenyl)-1-oxopropan-2-yl] 2-(4-chlorophenyl)-6-methylquinoline-4-carboxylate
Show more names
SALOR-INT L206687-1EA4-Quinolinecarboxylic acid, 2-(4-chlorophenyl)-6-methyl-, 1-methyl-2-(4-methylphenyl)-2-oxoethyl ester
ST508539131-methyl-2-(4-methylphenyl)-2-oxoethyl 2-(4-chlorophenyl)-6-methyl-4-quinolinecarboxylate1-methyl-2-(4-methylphenyl)-2-oxoethyl 2-(4-chlorophenyl)-6-methylquinoline-4- carboxylate
Database identifiers
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 56.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 653
Physicochemical properties
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H413
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P273, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H413
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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