2-[(E)-2-(4-bromophenyl)ethenyl]-5,7-dimethylquinolin-8-ol;2-[(E)-2-(6-bromo-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;2-[(E)-2-(2-chloro-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;5,7-dimethyl-2-[(E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]quinolin-8-ol;3-[(E)-2-(8-hydroxy-5,7-dimethylquinolin-2-yl)ethenyl]benzonitrile;2-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol

C113H95Br2ClF3N11O7 — CID 160927319

About 2-[(E)-2-(4-bromophenyl)ethenyl]-5,7-dimethylquinolin-8-ol;2-[(E)-2-(6-bromo-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;2-[(E)-2-(2-chloro-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;5,7-dimethyl-2-[(E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]quinolin-8-ol;3-[(E)-2-(8-hydroxy-5,7-dimethylquinolin-2-yl)ethenyl]benzonitrile;2-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol

2-[(E)-2-(4-bromophenyl)ethenyl]-5,7-dimethylquinolin-8-ol;2-[(E)-2-(6-bromo-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;2-[(E)-2-(2-chloro-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;5,7-dimethyl-2-[(E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]quinolin-8-ol;3-[(E)-2-(8-hydroxy-5,7-dimethylquinolin-2-yl)ethenyl]benzonitrile;2-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol (PubChem CID 160927319) has the molecular formula C113H95Br2ClF3N11O7 and a molecular weight of 1971.33 g/mol. Its IUPAC name is 2-[(E)-2-(4-bromophenyl)ethenyl]-5,7-dimethylquinolin-8-ol;2-[(E)-2-(6-bromo-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;2-[(E)-2-(2-chloro-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;5,7-dimethyl-2-[(E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]quinolin-8-ol;3-[(E)-2-(8-hydroxy-5,7-dimethylquinolin-2-yl)ethenyl]benzonitrile;2-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol.

Molecular Properties

• Compound Name: 2-[(E)-2-(4-bromophenyl)ethenyl]-5,7-dimethylquinolin-8-ol;2-[(E)-2-(6-bromo-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;2-[(E)-2-(2-chloro-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;5,7-dimethyl-2-[(E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]quinolin-8-ol;3-[(E)-2-(8-hydroxy-5,7-dimethylquinolin-2-yl)ethenyl]benzonitrile;2-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol
• PubChem CID: 160927319
• Molecular Formula: C113H95Br2ClF3N11O7
• Molecular Weight: 1971.33 g/mol
• Exact Mass: 1967.54
• IUPAC Name: 2-[(E)-2-(4-bromophenyl)ethenyl]-5,7-dimethylquinolin-8-ol;2-[(E)-2-(6-bromo-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;2-[(E)-2-(2-chloro-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;5,7-dimethyl-2-[(E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]quinolin-8-ol;3-[(E)-2-(8-hydroxy-5,7-dimethylquinolin-2-yl)ethenyl]benzonitrile;2-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol
• SMILES: COc1ccc(/C=C/c2ccc3c(C)cc(C)c(O)c3n2)cn1.Cc1cc(C)c2ccc(/C=C/c3ccc(Br)cc3)nc2c1O.Cc1cc(C)c2ccc(/C=C/c3ccc(Br)nc3)nc2c1O.Cc1cc(C)c2ccc(/C=C/c3ccc(C(F)(F)F)nc3)nc2c1O.Cc1cc(C)c2ccc(/C=C/c3cccc(C#N)c3)nc2c1O.Cc1cc(C)c2ccc(/C=C/c3cccnc3Cl)nc2c1O
• InChI: InChI=1S/C20H16N2O.C19H16BrNO.C19H15F3N2O.C19H18N2O2.C18H15BrN2O.C18H15ClN2O/c1-13-10-14(2)20(23)19-18(13)9-8-17(22-19)7-6-15-4-3-5-16(11-15)12-21;1-12-11-13(2)19(22)18-17(12)10-9-16(21-18)8-5-14-3-6-15(20)7-4-14;1-11-9-12(2)18(25)17-15(11)7-6-14(24-17)5-3-13-4-8-16(23-10-13)19(20,21)22;1-12-10-13(2)19(22)18-16(12)8-7-15(21-18)6-4-14-5-9-17(23-3)20-11-14;1-11-9-12(2)18(22)17-15(11)7-6-14(21-17)5-3-13-4-8-16(19)20-10-13;1-11-10-12(2)17(22)16-15(11)8-7-14(21-16)6-5-13-4-3-9-20-18(13)19/h3-11,23H,1-2H3;3-11,22H,1-2H3;3-10,25H,1-2H3;4-11,22H,1-3H3;2*3-10,22H,1-2H3/b7-6+;8-5+;5-3+;6-4+;5-3+;6-5+
• InChIKey: SSUSJTKREQFQDA-ZENVIVGBSA-N
• XLogP: 29.02
• TPSA: 283.30 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 13
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1971.33
LogP ≤ 5	29.02
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-bromophenyl)ethenyl]-5,7-dimethylquinolin-8-ol;2-[(E)-2-(6-bromo-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;2-[(E)-2-(2-chloro-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;5,7-dimethyl-2-[(E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]quinolin-8-ol;3-[(E)-2-(8-hydroxy-5,7-dimethylquinolin-2-yl)ethenyl]benzonitrile;2-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol?

The IUPAC name of 2-[(E)-2-(4-bromophenyl)ethenyl]-5,7-dimethylquinolin-8-ol;2-[(E)-2-(6-bromo-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;2-[(E)-2-(2-chloro-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;5,7-dimethyl-2-[(E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]quinolin-8-ol;3-[(E)-2-(8-hydroxy-5,7-dimethylquinolin-2-yl)ethenyl]benzonitrile;2-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol (CID 160927319) is 2-[(E)-2-(4-bromophenyl)ethenyl]-5,7-dimethylquinolin-8-ol;2-[(E)-2-(6-bromo-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;2-[(E)-2-(2-chloro-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;5,7-dimethyl-2-[(E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]quinolin-8-ol;3-[(E)-2-(8-hydroxy-5,7-dimethylquinolin-2-yl)ethenyl]benzonitrile;2-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol.

What is the SMILES notation for 2-[(E)-2-(4-bromophenyl)ethenyl]-5,7-dimethylquinolin-8-ol;2-[(E)-2-(6-bromo-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;2-[(E)-2-(2-chloro-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;5,7-dimethyl-2-[(E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]quinolin-8-ol;3-[(E)-2-(8-hydroxy-5,7-dimethylquinolin-2-yl)ethenyl]benzonitrile;2-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol?

The canonical SMILES for 2-[(E)-2-(4-bromophenyl)ethenyl]-5,7-dimethylquinolin-8-ol;2-[(E)-2-(6-bromo-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;2-[(E)-2-(2-chloro-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;5,7-dimethyl-2-[(E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]quinolin-8-ol;3-[(E)-2-(8-hydroxy-5,7-dimethylquinolin-2-yl)ethenyl]benzonitrile;2-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol is COc1ccc(/C=C/c2ccc3c(C)cc(C)c(O)c3n2)cn1.Cc1cc(C)c2ccc(/C=C/c3ccc(Br)cc3)nc2c1O.Cc1cc(C)c2ccc(/C=C/c3ccc(Br)nc3)nc2c1O.Cc1cc(C)c2ccc(/C=C/c3ccc(C(F)(F)F)nc3)nc2c1O.Cc1cc(C)c2ccc(/C=C/c3cccc(C#N)c3)nc2c1O.Cc1cc(C)c2ccc(/C=C/c3cccnc3Cl)nc2c1O.

What is the InChIKey of 2-[(E)-2-(4-bromophenyl)ethenyl]-5,7-dimethylquinolin-8-ol;2-[(E)-2-(6-bromo-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;2-[(E)-2-(2-chloro-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;5,7-dimethyl-2-[(E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]quinolin-8-ol;3-[(E)-2-(8-hydroxy-5,7-dimethylquinolin-2-yl)ethenyl]benzonitrile;2-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol?

The InChIKey is SSUSJTKREQFQDA-ZENVIVGBSA-N. The full InChI is InChI=1S/C20H16N2O.C19H16BrNO.C19H15F3N2O.C19H18N2O2.C18H15BrN2O.C18H15ClN2O/c1-13-10-14(2)20(23)19-18(13)9-8-17(22-19)7-6-15-4-3-5-16(11-15)12-21;1-12-11-13(2)19(22)18-17(12)10-9-16(21-18)8-5-14-3-6-15(20)7-4-14;1-11-9-12(2)18(25)17-15(11)7-6-14(24-17)5-3-13-4-8-16(23-10-13)19(20,21)22;1-12-10-13(2)19(22)18-16(12)8-7-15(21-18)6-4-14-5-9-17(23-3)20-11-14;1-11-9-12(2)18(22)17-15(11)7-6-14(21-17)5-3-13-4-8-16(19)20-10-13;1-11-10-12(2)17(22)16-15(11)8-7-14(21-16)6-5-13-4-3-9-20-18(13)19/h3-11,23H,1-2H3;3-11,22H,1-2H3;3-10,25H,1-2H3;4-11,22H,1-3H3;2*3-10,22H,1-2H3/b7-6+;8-5+;5-3+;6-4+;5-3+;6-5+.

What are the key properties of 2-[(E)-2-(4-bromophenyl)ethenyl]-5,7-dimethylquinolin-8-ol;2-[(E)-2-(6-bromo-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;2-[(E)-2-(2-chloro-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;5,7-dimethyl-2-[(E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]quinolin-8-ol;3-[(E)-2-(8-hydroxy-5,7-dimethylquinolin-2-yl)ethenyl]benzonitrile;2-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol?

2-[(E)-2-(4-bromophenyl)ethenyl]-5,7-dimethylquinolin-8-ol;2-[(E)-2-(6-bromo-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;2-[(E)-2-(2-chloro-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;5,7-dimethyl-2-[(E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]quinolin-8-ol;3-[(E)-2-(8-hydroxy-5,7-dimethylquinolin-2-yl)ethenyl]benzonitrile;2-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol has a molecular weight of 1971.33 g/mol, XLogP of 29.02, 13 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(E)-2-(4-bromophenyl)ethenyl]-5,7-dimethylquinolin-8-ol;2-[(E)-2-(6-bromo-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;2-[(E)-2-(2-chloro-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;5,7-dimethyl-2-[(E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]quinolin-8-ol;3-[(E)-2-(8-hydroxy-5,7-dimethylquinolin-2-yl)ethenyl]benzonitrile;2-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol is sourced from PubChem (CID 160927319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).