2-[(E)-2-(2-bromo-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;5,7-dimethyl-2-[(E)-2-(2-propan-2-yloxy-3-pyridinyl)ethenyl]quinolin-8-ol;5,7-dimethyl-2-[(E)-2-(2-propoxy-3-pyridinyl)ethenyl]quinolin-8-ol;2,4-dimethyl-7-[(E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]naphthalen-1-ol;2-[(E)-2-(6-fluoro-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;2-[(E)-2-(2-methoxy-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol

C117H108BrF4N11O9 — CID 159701735

About 2-[(E)-2-(2-bromo-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;5,7-dimethyl-2-[(E)-2-(2-propan-2-yloxy-3-pyridinyl)ethenyl]quinolin-8-ol;5,7-dimethyl-2-[(E)-2-(2-propoxy-3-pyridinyl)ethenyl]quinolin-8-ol;2,4-dimethyl-7-[(E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]naphthalen-1-ol;2-[(E)-2-(6-fluoro-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;2-[(E)-2-(2-methoxy-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol

2-[(E)-2-(2-bromo-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;5,7-dimethyl-2-[(E)-2-(2-propan-2-yloxy-3-pyridinyl)ethenyl]quinolin-8-ol;5,7-dimethyl-2-[(E)-2-(2-propoxy-3-pyridinyl)ethenyl]quinolin-8-ol;2,4-dimethyl-7-[(E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]naphthalen-1-ol;2-[(E)-2-(6-fluoro-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;2-[(E)-2-(2-methoxy-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol (PubChem CID 159701735) has the molecular formula C117H108BrF4N11O9 and a molecular weight of 1968.11 g/mol. Its IUPAC name is 2-[(E)-2-(2-bromo-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;5,7-dimethyl-2-[(E)-2-(2-propan-2-yloxy-3-pyridinyl)ethenyl]quinolin-8-ol;5,7-dimethyl-2-[(E)-2-(2-propoxy-3-pyridinyl)ethenyl]quinolin-8-ol;2,4-dimethyl-7-[(E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]naphthalen-1-ol;2-[(E)-2-(6-fluoro-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;2-[(E)-2-(2-methoxy-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol.

Molecular Properties

• Compound Name: 2-[(E)-2-(2-bromo-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;5,7-dimethyl-2-[(E)-2-(2-propan-2-yloxy-3-pyridinyl)ethenyl]quinolin-8-ol;5,7-dimethyl-2-[(E)-2-(2-propoxy-3-pyridinyl)ethenyl]quinolin-8-ol;2,4-dimethyl-7-[(E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]naphthalen-1-ol;2-[(E)-2-(6-fluoro-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;2-[(E)-2-(2-methoxy-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol
• PubChem CID: 159701735
• Molecular Formula: C117H108BrF4N11O9
• Molecular Weight: 1968.11 g/mol
• Exact Mass: 1965.75
• IUPAC Name: 2-[(E)-2-(2-bromo-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;5,7-dimethyl-2-[(E)-2-(2-propan-2-yloxy-3-pyridinyl)ethenyl]quinolin-8-ol;5,7-dimethyl-2-[(E)-2-(2-propoxy-3-pyridinyl)ethenyl]quinolin-8-ol;2,4-dimethyl-7-[(E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]naphthalen-1-ol;2-[(E)-2-(6-fluoro-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;2-[(E)-2-(2-methoxy-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol
• SMILES: CCCOc1ncccc1/C=C/c1ccc2c(C)cc(C)c(O)c2n1.COc1ncccc1/C=C/c1ccc2c(C)cc(C)c(O)c2n1.Cc1cc(C)c2ccc(/C=C/c3ccc(C(F)(F)F)nc3)cc2c1O.Cc1cc(C)c2ccc(/C=C/c3ccc(F)nc3)nc2c1O.Cc1cc(C)c2ccc(/C=C/c3cccnc3Br)nc2c1O.Cc1cc(C)c2ccc(/C=C/c3cccnc3OC(C)C)nc2c1O
• InChI: InChI=1S/2C21H22N2O2.C20H16F3NO.C19H18N2O2.C18H15BrN2O.C18H15FN2O/c1-13(2)25-21-16(6-5-11-22-21)7-8-17-9-10-18-14(3)12-15(4)20(24)19(18)23-17;1-4-12-25-21-16(6-5-11-22-21)7-8-17-9-10-18-14(2)13-15(3)20(24)19(18)23-17;1-12-9-13(2)19(25)17-10-14(5-7-16(12)17)3-4-15-6-8-18(24-11-15)20(21,22)23;1-12-11-13(2)18(22)17-16(12)9-8-15(21-17)7-6-14-5-4-10-20-19(14)23-3;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;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/h5-13,24H,1-4H3;5-11,13,24H,4,12H2,1-3H3;3-11,25H,1-2H3;4-11,22H,1-3H3;2*3-10,22H,1-2H3/b2*8-7+;4-3+;7-6+;6-5+;5-3+
• InChIKey: MXRZTQVSHWWPGC-SMWRELBDSA-N
• XLogP: 28.85
• TPSA: 290.86 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 18
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1968.11
LogP ≤ 5	28.85
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

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-(2-bromo-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;5,7-dimethyl-2-[(E)-2-(2-propan-2-yloxy-3-pyridinyl)ethenyl]quinolin-8-ol;5,7-dimethyl-2-[(E)-2-(2-propoxy-3-pyridinyl)ethenyl]quinolin-8-ol;2,4-dimethyl-7-[(E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]naphthalen-1-ol;2-[(E)-2-(6-fluoro-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;2-[(E)-2-(2-methoxy-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol?

The IUPAC name of 2-[(E)-2-(2-bromo-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;5,7-dimethyl-2-[(E)-2-(2-propan-2-yloxy-3-pyridinyl)ethenyl]quinolin-8-ol;5,7-dimethyl-2-[(E)-2-(2-propoxy-3-pyridinyl)ethenyl]quinolin-8-ol;2,4-dimethyl-7-[(E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]naphthalen-1-ol;2-[(E)-2-(6-fluoro-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;2-[(E)-2-(2-methoxy-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol (CID 159701735) is 2-[(E)-2-(2-bromo-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;5,7-dimethyl-2-[(E)-2-(2-propan-2-yloxy-3-pyridinyl)ethenyl]quinolin-8-ol;5,7-dimethyl-2-[(E)-2-(2-propoxy-3-pyridinyl)ethenyl]quinolin-8-ol;2,4-dimethyl-7-[(E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]naphthalen-1-ol;2-[(E)-2-(6-fluoro-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;2-[(E)-2-(2-methoxy-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol.

What is the SMILES notation for 2-[(E)-2-(2-bromo-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;5,7-dimethyl-2-[(E)-2-(2-propan-2-yloxy-3-pyridinyl)ethenyl]quinolin-8-ol;5,7-dimethyl-2-[(E)-2-(2-propoxy-3-pyridinyl)ethenyl]quinolin-8-ol;2,4-dimethyl-7-[(E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]naphthalen-1-ol;2-[(E)-2-(6-fluoro-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;2-[(E)-2-(2-methoxy-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol?

The canonical SMILES for 2-[(E)-2-(2-bromo-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;5,7-dimethyl-2-[(E)-2-(2-propan-2-yloxy-3-pyridinyl)ethenyl]quinolin-8-ol;5,7-dimethyl-2-[(E)-2-(2-propoxy-3-pyridinyl)ethenyl]quinolin-8-ol;2,4-dimethyl-7-[(E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]naphthalen-1-ol;2-[(E)-2-(6-fluoro-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;2-[(E)-2-(2-methoxy-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol is CCCOc1ncccc1/C=C/c1ccc2c(C)cc(C)c(O)c2n1.COc1ncccc1/C=C/c1ccc2c(C)cc(C)c(O)c2n1.Cc1cc(C)c2ccc(/C=C/c3ccc(C(F)(F)F)nc3)cc2c1O.Cc1cc(C)c2ccc(/C=C/c3ccc(F)nc3)nc2c1O.Cc1cc(C)c2ccc(/C=C/c3cccnc3Br)nc2c1O.Cc1cc(C)c2ccc(/C=C/c3cccnc3OC(C)C)nc2c1O.

What is the InChIKey of 2-[(E)-2-(2-bromo-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;5,7-dimethyl-2-[(E)-2-(2-propan-2-yloxy-3-pyridinyl)ethenyl]quinolin-8-ol;5,7-dimethyl-2-[(E)-2-(2-propoxy-3-pyridinyl)ethenyl]quinolin-8-ol;2,4-dimethyl-7-[(E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]naphthalen-1-ol;2-[(E)-2-(6-fluoro-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;2-[(E)-2-(2-methoxy-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol?

The InChIKey is MXRZTQVSHWWPGC-SMWRELBDSA-N. The full InChI is InChI=1S/2C21H22N2O2.C20H16F3NO.C19H18N2O2.C18H15BrN2O.C18H15FN2O/c1-13(2)25-21-16(6-5-11-22-21)7-8-17-9-10-18-14(3)12-15(4)20(24)19(18)23-17;1-4-12-25-21-16(6-5-11-22-21)7-8-17-9-10-18-14(2)13-15(3)20(24)19(18)23-17;1-12-9-13(2)19(25)17-10-14(5-7-16(12)17)3-4-15-6-8-18(24-11-15)20(21,22)23;1-12-11-13(2)18(22)17-16(12)9-8-15(21-17)7-6-14-5-4-10-20-19(14)23-3;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;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/h5-13,24H,1-4H3;5-11,13,24H,4,12H2,1-3H3;3-11,25H,1-2H3;4-11,22H,1-3H3;2*3-10,22H,1-2H3/b2*8-7+;4-3+;7-6+;6-5+;5-3+.

What are the key properties of 2-[(E)-2-(2-bromo-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;5,7-dimethyl-2-[(E)-2-(2-propan-2-yloxy-3-pyridinyl)ethenyl]quinolin-8-ol;5,7-dimethyl-2-[(E)-2-(2-propoxy-3-pyridinyl)ethenyl]quinolin-8-ol;2,4-dimethyl-7-[(E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]naphthalen-1-ol;2-[(E)-2-(6-fluoro-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;2-[(E)-2-(2-methoxy-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol?

2-[(E)-2-(2-bromo-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;5,7-dimethyl-2-[(E)-2-(2-propan-2-yloxy-3-pyridinyl)ethenyl]quinolin-8-ol;5,7-dimethyl-2-[(E)-2-(2-propoxy-3-pyridinyl)ethenyl]quinolin-8-ol;2,4-dimethyl-7-[(E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]naphthalen-1-ol;2-[(E)-2-(6-fluoro-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;2-[(E)-2-(2-methoxy-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol has a molecular weight of 1968.11 g/mol, XLogP of 28.85, 18 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(E)-2-(2-bromo-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;5,7-dimethyl-2-[(E)-2-(2-propan-2-yloxy-3-pyridinyl)ethenyl]quinolin-8-ol;5,7-dimethyl-2-[(E)-2-(2-propoxy-3-pyridinyl)ethenyl]quinolin-8-ol;2,4-dimethyl-7-[(E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]naphthalen-1-ol;2-[(E)-2-(6-fluoro-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;2-[(E)-2-(2-methoxy-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol is sourced from PubChem (CID 159701735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).