N-(3-Fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
Basic information
- CAS
428844-38-6- Standard SMILES
COc1cc(C2C(C(=O)Nc3cccc(F)c3)=C(C)NC3=C2C(=O)CC(c2ccccc2)C3)ccc1O- InChIKey
XLVGVSVMSMGJRS-UHFFFAOYSA-N- Molecular formula
- C30H27FN2O4
- Average molar mass
- 498.5 g/mol
- Monoisotopic mass
- 498.19548551
Names & identifiers
- Preferred name
- N-(3-Fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
- IUPAC
- N-(3-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
- English name
- SALOR-INT L218332-1EA
- Molecular formula
- C30H27FN2O4
- Molecular weight
- 498.54
Names & synonyms
428844-38-6N-(3-FLUOROPHENYL)-4-(4-HYDROXY-3-METHOXYPHENYL)-2-METHYL-5-OXO-7-PHENYL-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXAMIDERefChem:826583648-502-4N-(3-Fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxamideCDS1_001916ChemDiv1_008316Oprea1_703302DivK1c_002956HMS610J22AKOS001659444AKOS021996700
Show more names
SALOR-INT L218332-1EA
N-(3-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamideAB00109906-01SR-01000472166SR-01000472166-1
Database identifiers
- CAS
428844-38-6- PubChem CID
- 2901931
- EC Number
- 648-502-4
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 940
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319-H410-H315-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P273-P391-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, P391, 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,GHS09
- Hazard statements
- H302-H319-H410-H315-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P273-P391-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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