2-methyl-2-[8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]phenyl]quinolin-6-yl]propanenitrile;2-methyl-2-[8-[3-[(E)-2-(4-methylsulfonylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]phenyl]quinolin-6-yl]propanenitrile;2-methyl-2-[8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-(1,3-thiazol-2-yl)ethenyl]phenyl]quinolin-6-yl]propanenitrile;(E)-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]prop-2-enoic acid

C124H106N10O12S8 — CID 157340463

About 2-methyl-2-[8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]phenyl]quinolin-6-yl]propanenitrile;2-methyl-2-[8-[3-[(E)-2-(4-methylsulfonylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]phenyl]quinolin-6-yl]propanenitrile;2-methyl-2-[8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-(1,3-thiazol-2-yl)ethenyl]phenyl]quinolin-6-yl]propanenitrile;(E)-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]prop-2-enoic acid

2-methyl-2-[8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]phenyl]quinolin-6-yl]propanenitrile;2-methyl-2-[8-[3-[(E)-2-(4-methylsulfonylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]phenyl]quinolin-6-yl]propanenitrile;2-methyl-2-[8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-(1,3-thiazol-2-yl)ethenyl]phenyl]quinolin-6-yl]propanenitrile;(E)-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]prop-2-enoic acid (PubChem CID 157340463) has the molecular formula C124H106N10O12S8 and a molecular weight of 2184.81 g/mol. Its IUPAC name is 2-methyl-2-[8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]phenyl]quinolin-6-yl]propanenitrile;2-methyl-2-[8-[3-[(E)-2-(4-methylsulfonylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]phenyl]quinolin-6-yl]propanenitrile;2-methyl-2-[8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-(1,3-thiazol-2-yl)ethenyl]phenyl]quinolin-6-yl]propanenitrile;(E)-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]prop-2-enoic acid.

Molecular Properties

• Compound Name: 2-methyl-2-[8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]phenyl]quinolin-6-yl]propanenitrile;2-methyl-2-[8-[3-[(E)-2-(4-methylsulfonylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]phenyl]quinolin-6-yl]propanenitrile;2-methyl-2-[8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-(1,3-thiazol-2-yl)ethenyl]phenyl]quinolin-6-yl]propanenitrile;(E)-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]prop-2-enoic acid
• PubChem CID: 157340463
• Molecular Formula: C124H106N10O12S8
• Molecular Weight: 2184.81 g/mol
• Exact Mass: 2182.58
• IUPAC Name: 2-methyl-2-[8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]phenyl]quinolin-6-yl]propanenitrile;2-methyl-2-[8-[3-[(E)-2-(4-methylsulfonylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]phenyl]quinolin-6-yl]propanenitrile;2-methyl-2-[8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-(1,3-thiazol-2-yl)ethenyl]phenyl]quinolin-6-yl]propanenitrile;(E)-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]prop-2-enoic acid
• SMILES: CC(C)(C#N)c1cc(-c2cccc(/C=C(/c3ccc(S(C)(=O)=O)cc3)c3nccs3)c2)c2ncccc2c1.CC(C)(c1cc(-c2cccc(/C=C(/C(=O)O)c3ccc(S(C)(=O)=O)cc3)c2)c2ncccc2c1)S(C)(=O)=O.Cc1csc(/C(=C/c2cccc(-c3cc(C(C)(C)C#N)cc4cccnc34)c2)c2ccc(S(C)(=O)=O)cc2)n1.Cc1csc(/C(=C\c2cccc(-c3cc(C(C)(C)C#N)cc4cccnc34)c2)c2ccc(S(C)(=O)=O)cc2)n1
• InChI: InChI=1S/2C32H27N3O2S2.C31H25N3O2S2.C29H27NO6S2/c2*1-21-19-38-31(35-21)29(23-10-12-27(13-11-23)39(4,36)37)16-22-7-5-8-24(15-22)28-18-26(32(2,3)20-33)17-25-9-6-14-34-30(25)28;1-31(2,20-32)25-18-24-8-5-13-33-29(24)27(19-25)23-7-4-6-21(16-23)17-28(30-34-14-15-37-30)22-9-11-26(12-10-22)38(3,35)36;1-29(2,38(4,35)36)23-17-22-9-6-14-30-27(22)25(18-23)21-8-5-7-19(15-21)16-26(28(31)32)20-10-12-24(13-11-20)37(3,33)34/h2*5-19H,1-4H3;4-19H,1-3H3;5-18H,1-4H3,(H,31,32)/b29-16+;29-16-;28-17-;26-16+
• InChIKey: BGIHAFIXESYSRL-QKPCUDFHSA-N
• XLogP: 27.28
• TPSA: 369.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 24
• Rotatable Bonds: 25
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2184.81
LogP ≤ 5	27.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]phenyl]quinolin-6-yl]propanenitrile;2-methyl-2-[8-[3-[(E)-2-(4-methylsulfonylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]phenyl]quinolin-6-yl]propanenitrile;2-methyl-2-[8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-(1,3-thiazol-2-yl)ethenyl]phenyl]quinolin-6-yl]propanenitrile;(E)-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]prop-2-enoic acid?

The IUPAC name of 2-methyl-2-[8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]phenyl]quinolin-6-yl]propanenitrile;2-methyl-2-[8-[3-[(E)-2-(4-methylsulfonylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]phenyl]quinolin-6-yl]propanenitrile;2-methyl-2-[8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-(1,3-thiazol-2-yl)ethenyl]phenyl]quinolin-6-yl]propanenitrile;(E)-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]prop-2-enoic acid (CID 157340463) is 2-methyl-2-[8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]phenyl]quinolin-6-yl]propanenitrile;2-methyl-2-[8-[3-[(E)-2-(4-methylsulfonylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]phenyl]quinolin-6-yl]propanenitrile;2-methyl-2-[8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-(1,3-thiazol-2-yl)ethenyl]phenyl]quinolin-6-yl]propanenitrile;(E)-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]prop-2-enoic acid.

What is the SMILES notation for 2-methyl-2-[8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]phenyl]quinolin-6-yl]propanenitrile;2-methyl-2-[8-[3-[(E)-2-(4-methylsulfonylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]phenyl]quinolin-6-yl]propanenitrile;2-methyl-2-[8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-(1,3-thiazol-2-yl)ethenyl]phenyl]quinolin-6-yl]propanenitrile;(E)-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]prop-2-enoic acid?

The canonical SMILES for 2-methyl-2-[8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]phenyl]quinolin-6-yl]propanenitrile;2-methyl-2-[8-[3-[(E)-2-(4-methylsulfonylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]phenyl]quinolin-6-yl]propanenitrile;2-methyl-2-[8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-(1,3-thiazol-2-yl)ethenyl]phenyl]quinolin-6-yl]propanenitrile;(E)-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]prop-2-enoic acid is CC(C)(C#N)c1cc(-c2cccc(/C=C(/c3ccc(S(C)(=O)=O)cc3)c3nccs3)c2)c2ncccc2c1.CC(C)(c1cc(-c2cccc(/C=C(/C(=O)O)c3ccc(S(C)(=O)=O)cc3)c2)c2ncccc2c1)S(C)(=O)=O.Cc1csc(/C(=C/c2cccc(-c3cc(C(C)(C)C#N)cc4cccnc34)c2)c2ccc(S(C)(=O)=O)cc2)n1.Cc1csc(/C(=C\c2cccc(-c3cc(C(C)(C)C#N)cc4cccnc34)c2)c2ccc(S(C)(=O)=O)cc2)n1.

What is the InChIKey of 2-methyl-2-[8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]phenyl]quinolin-6-yl]propanenitrile;2-methyl-2-[8-[3-[(E)-2-(4-methylsulfonylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]phenyl]quinolin-6-yl]propanenitrile;2-methyl-2-[8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-(1,3-thiazol-2-yl)ethenyl]phenyl]quinolin-6-yl]propanenitrile;(E)-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]prop-2-enoic acid?

The InChIKey is BGIHAFIXESYSRL-QKPCUDFHSA-N. The full InChI is InChI=1S/2C32H27N3O2S2.C31H25N3O2S2.C29H27NO6S2/c2*1-21-19-38-31(35-21)29(23-10-12-27(13-11-23)39(4,36)37)16-22-7-5-8-24(15-22)28-18-26(32(2,3)20-33)17-25-9-6-14-34-30(25)28;1-31(2,20-32)25-18-24-8-5-13-33-29(24)27(19-25)23-7-4-6-21(16-23)17-28(30-34-14-15-37-30)22-9-11-26(12-10-22)38(3,35)36;1-29(2,38(4,35)36)23-17-22-9-6-14-30-27(22)25(18-23)21-8-5-7-19(15-21)16-26(28(31)32)20-10-12-24(13-11-20)37(3,33)34/h2*5-19H,1-4H3;4-19H,1-3H3;5-18H,1-4H3,(H,31,32)/b29-16+;29-16-;28-17-;26-16+.

What are the key properties of 2-methyl-2-[8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]phenyl]quinolin-6-yl]propanenitrile;2-methyl-2-[8-[3-[(E)-2-(4-methylsulfonylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]phenyl]quinolin-6-yl]propanenitrile;2-methyl-2-[8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-(1,3-thiazol-2-yl)ethenyl]phenyl]quinolin-6-yl]propanenitrile;(E)-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]prop-2-enoic acid?

2-methyl-2-[8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]phenyl]quinolin-6-yl]propanenitrile;2-methyl-2-[8-[3-[(E)-2-(4-methylsulfonylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]phenyl]quinolin-6-yl]propanenitrile;2-methyl-2-[8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-(1,3-thiazol-2-yl)ethenyl]phenyl]quinolin-6-yl]propanenitrile;(E)-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]prop-2-enoic acid has a molecular weight of 2184.81 g/mol, XLogP of 27.28, 25 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-2-[8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]phenyl]quinolin-6-yl]propanenitrile;2-methyl-2-[8-[3-[(E)-2-(4-methylsulfonylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]phenyl]quinolin-6-yl]propanenitrile;2-methyl-2-[8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-(1,3-thiazol-2-yl)ethenyl]phenyl]quinolin-6-yl]propanenitrile;(E)-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]prop-2-enoic acid is sourced from PubChem (CID 157340463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).