RefChem:464129
2-amino-4-(4-bromophenyl)-5-oxo-1-(1H-1,2,4-triazol-5-yl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: Oprea1_599072|AN-919/40736435|SR-01000490381-1|2-AMINO-4-(4-BROMOPHENYL)-5-OXO-1-(1H-1,2,4-TRIAZOL-5-YL)-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE|2-amino-4-(4-bromophenyl)-5-oxo-1-(1H-1,2,4-triazol-3-yl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile|2-amino-4-(4-bromophenyl)-5-oxo-1-(1H-1,2,4-triazol-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile|2-Amino-4-(4-bromophenyl)-5-oxo-1-(1H-1,2,4-triazol-5-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile|2-amino-4-(4-bromophenyl)-5-oxo-1-(1H-1,2,4-triazol-5-yl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile|648-991-4
| Molecular Formula | C18H15BrN6O |
|---|---|
| Molecular Weight | 410.04907 g/mol |
| LogP | 2.87198 |
| Topological Polar Surface Area | 111.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 410.04907 |
| Monoisotopic Mass | 410.04907 |
| Heavy Atoms | 26 |
| Complexity | 968.1103 |
Chemical Identifiers
| CAS Number | 442522-85-2 |
|---|---|
| SMILES | C1CC2=C(C(C(=C(N2C3=NC=NN3)N)C#N)C4=CC=C(C=C4)Br)C(=O)C1 |
Product Overview
RefChem:464129 (CAS 442522-85-2), with molecular formula C18H15BrN6O and molecular weight 410.04907 g/mol. IUPAC: 2-amino-4-(4-bromophenyl)-5-oxo-1-(1H-1,2,4-triazol-5-yl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
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