Oprea1_501435
2-amino-1-(2,4-dimethoxyphenyl)-5-oxo-4-thiophen-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: Oprea1_501435|AG-205/37167008|SR-01000526241-1|A2105/0088429|2-amino-1-(2,4-dimethoxyphenyl)-5-oxo-4-(3-thienyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile|2-amino-1-(2,4-dimethoxyphenyl)-5-oxo-4-thiophen-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile|2-amino-1-(2,4-dimethoxyphenyl)-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
| Molecular Formula | C22H21N3O3S |
|---|---|
| Molecular Weight | 407.13037 g/mol |
| LogP | 4.07008 |
| Topological Polar Surface Area | 88.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.13037 |
| Monoisotopic Mass | 407.13037 |
| Heavy Atoms | 29 |
| Complexity | 1063.4668 |
Chemical Identifiers
| CAS Number | 309282-85-7 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)N2C3=C(C(C(=C2N)C#N)C4=CSC=C4)C(=O)CCC3)OC |
Product Overview
Oprea1_501435 (CAS 309282-85-7), with molecular formula C22H21N3O3S and molecular weight 407.13037 g/mol. IUPAC: 2-amino-1-(2,4-dimethoxyphenyl)-5-oxo-4-thiophen-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
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