2-Amino-4-(4-nitrophenyl)-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Basic information
- CAS
444923-25-5- Standard SMILES
N#CC1=C(N)N(c2cccnc2)C2=C(C(=O)CCC2)C1c1ccc([N+](=O)[O-])cc1- InChIKey
VCPHGRDPRRVMML-UHFFFAOYSA-N- Molecular formula
- C21H17N5O3
- Average molar mass
- 387.4 g/mol
- Monoisotopic mass
- 387.13313942
Names & identifiers
- Preferred name
- 2-Amino-4-(4-nitrophenyl)-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
- IUPAC
- 2-amino-4-(4-nitrophenyl)-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
- English name
- 2-amino-4-{4-nitrophenyl}-5-oxo-1-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
- Molecular formula
- C21H17N5O3
- Molecular weight
- 387.39138
Names & synonyms
2-amino-4-(4-nitrophenyl)-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile2-AMINO-4-(4-NITROPHENYL)-5-OXO-1-(3-PYRIDINYL)-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE2-amino-4-{4-nitrophenyl}-5-oxo-1-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile2-amino-4-(4-nitrophenyl)-5-oxo-1-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrileSTK959542AKOS003794349ST50710631AK-968/15603064444923-25-5
Database identifiers
- CAS
444923-25-5- PubChem CID
- 3741111
- EC Number
- 133-218-0
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 810
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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