2-Amino-1-(4-fluorophenyl)-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
Basic information
- CAS
311782-75-9- Standard SMILES
COc1cc(C2C(C#N)=C(N)N(c3ccc(F)cc3)C3=C2C(=O)CCC3)cc(OC)c1OC- InChIKey
NAQFADJJAXFNCK-UHFFFAOYSA-N- Molecular formula
- C25H24FN3O4
- Average molar mass
- 449.5 g/mol
- Monoisotopic mass
- 449.17508442
Names & identifiers
- Preferred name
- 2-Amino-1-(4-fluorophenyl)-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
- IUPAC
- 2-amino-1-(4-fluorophenyl)-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile
- English name
- SALOR-INT L222291-1EA
- Molecular formula
- C25H24FN3O4
- Molecular weight
- 449.47
Names & synonyms
311782-75-92-amino-1-(4-fluorophenyl)-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrileRefChem:463168648-116-62-amino-1-(4-fluorophenyl)-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrileChemDiv1_011261Oprea1_586242HMS618P19AKOS005593060AG-205/11218161SR-01000516700SR-01000516700-1
Show more names
SALOR-INT L222291-1EA
Database identifiers
- CAS
311782-75-9- PubChem CID
- 4547469
- EC Number
- 648-116-6
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 97.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 856
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 335 · H335-H400-H315-H319
- Precautionary statements
- 273 · 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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H335-H400-H315-H319
- Precautionary statements
- 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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