4-(2-Amino-3-cyano-4-(3,4-dimethoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-1(4H)-quinolinyl)benzenesulfonamide
Basic information
- CAS
339340-75-9- Standard SMILES
COc1ccc(C2C(C#N)=C(N)N(c3ccc(S(N)(=O)=O)cc3)C3=C2C(=O)CCC3)cc1OC- InChIKey
MMLFQLRSOWMBKN-UHFFFAOYSA-N- Molecular formula
- C24H24N4O5S
- Average molar mass
- 480.5 g/mol
- Monoisotopic mass
- 480.14674105
Names & identifiers
- Preferred name
- 4-(2-Amino-3-cyano-4-(3,4-dimethoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-1(4H)-quinolinyl)benzenesulfonamide
- IUPAC
- 4-[2-amino-3-cyano-4-(3,4-dimethoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]benzenesulfonamide
- English name
- SALOR-INT L221694-1EA
- Molecular formula
- C24H24N4O5S
- Molecular weight
- 480.54
Names & synonyms
339340-75-94-(2-amino-3-cyano-4-(3,4-dimethoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-1(4H)-quinolinyl)benzenesulfonamideRefChem:512137648-164-84-(2-Amino-3-cyano-4-(3,4-dimethoxyphenyl)-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl)benzenesulfonamideAKOS024407939SALOR-INT L221694-1EA
Database identifiers
- CAS
339340-75-9- PubChem CID
- 5072212
- EC Number
- 648-164-8
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 1,030
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · 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, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, 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
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…