AC1MPGQA
N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methylthiophen-2-yl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide
Also Known As: AK-968/41024370|N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methylthiophen-2-yl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide|N-[4-(4-sec-butylphenyl)-3-cyano-5-methyl-2-thienyl]-2-(3-isobutoxyphenyl)-4-quinolinecarboxamide|N-{4-[4-(butan-2-yl)phenyl]-3-cyano-5-methylthiophen-2-yl}-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide|N-{3-cyano-5-methyl-4-[4-(methylpropyl)phenyl](2-thienyl)}{2-[3-(2-methylpropo xy)phenyl](4-quinolyl)}carboxamide
| Molecular Formula | C36H35N3O2S |
|---|---|
| Molecular Weight | 573.245 g/mol |
| LogP | 9.611 |
| Topological Polar Surface Area | 75.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 573.245 |
| Monoisotopic Mass | 573.245 |
| Heavy Atoms | 42 |
| Complexity | 1780.5164 |
Chemical Identifiers
| CAS Number | 445236-10-2 |
|---|---|
| SMILES | CCC(C)C1=CC=C(C=C1)C2=C(SC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)OCC(C)C)C |
Product Overview
AC1MPGQA (CAS 445236-10-2), with molecular formula C36H35N3O2S and molecular weight 573.245 g/mol. IUPAC: N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methylthiophen-2-yl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide.