2-Amino-1-(dimethylamino)-5-oxo-7-phenyl-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
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Basic information
- CAS
421577-72-2- Standard SMILES
CN(C)N1C(N)=C(C#N)C(c2cccnc2)C2=C1CC(c1ccccc1)CC2=O- InChIKey
SQPJDZDZNBZELZ-UHFFFAOYSA-N- Molecular formula
- C23H23N5O
- Average molar mass
- 385.5 g/mol
- Monoisotopic mass
- 385.19026037
Names & identifiers
- Preferred name
- 2-Amino-1-(dimethylamino)-5-oxo-7-phenyl-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
- IUPAC
- 2-amino-1-(dimethylamino)-5-oxo-7-phenyl-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
- English name
- 2-amino-1-(dimethylamino)-5-oxo-7-phenyl-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
- Molecular formula
- C23H23N5O
- Molecular weight
- 385.46162
Names & synonyms
2-amino-1-(dimethylamino)-5-oxo-7-phenyl-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile2-amino-1-(dimethylamino)-5-oxo-7-phenyl-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrileOprea1_180941Oprea1_782873AKOS001639591AKOS022002092AN-919/40736901SR-01000490502SR-01000490502-12-AMINO-1-(DIMETHYLAMINO)-5-OXO-7-PHENYL-4-(PYRIDIN-3-YL)-1,4,5,6,7,8-HEXAHYDROQUINOLINE-3-CARBONITRILE421577-72-2
Database identifiers
- CAS
421577-72-2- PubChem CID
- 2909736
- EC Number
- 135-085-4
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 86.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 767
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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