2-[[4-[[2-methoxy-4-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[(E)-2-[4-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline

C128H105N21O9 — CID 159100164

About 2-[[4-[[2-methoxy-4-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[(E)-2-[4-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline

2-[[4-[[2-methoxy-4-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[(E)-2-[4-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline (PubChem CID 159100164) has the molecular formula C128H105N21O9 and a molecular weight of 2081.39 g/mol. Its IUPAC name is 2-[[4-[[2-methoxy-4-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[(E)-2-[4-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline.

Molecular Properties

• Compound Name: 2-[[4-[[2-methoxy-4-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[(E)-2-[4-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline
• PubChem CID: 159100164
• Molecular Formula: C128H105N21O9
• Molecular Weight: 2081.39 g/mol
• Exact Mass: 2079.84
• IUPAC Name: 2-[[4-[[2-methoxy-4-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[(E)-2-[4-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline
• SMILES: C(=C/c1ccc(-c2ncn[nH]2)cc1)\c1ccc(OCc2ccc3ccccc3n2)cc1.COc1cc(-c2ncn[nH]2)ccc1OCc1ccc(OCc2ccc3ccccc3n2)cc1.c1cc(COc2ccc(OCc3ccc4ccccc4n3)cc2)cc(Cc2ncn[nH]2)c1.c1cc(Cc2ccc(OCc3ccc4ccccc4n3)cc2)cc(-c2ncn[nH]2)c1.c1cc(OCc2ccc3ccccc3n2)cc(OCc2ccccc2Cc2nn[nH]n2)c1
• InChI: InChI=1S/C26H22N4O3.C26H22N4O2.C26H20N4O.C25H21N5O2.C25H20N4O/c1-31-25-14-20(26-27-17-28-30-26)9-13-24(25)33-15-18-6-11-22(12-7-18)32-16-21-10-8-19-4-2-3-5-23(19)29-21;1-2-7-25-21(6-1)8-9-22(29-25)17-32-24-12-10-23(11-13-24)31-16-20-5-3-4-19(14-20)15-26-27-18-28-30-26;1-2-4-25-21(3-1)13-14-23(29-25)17-31-24-15-9-20(10-16-24)6-5-19-7-11-22(12-8-19)26-27-18-28-30-26;1-2-8-20(19(7-1)14-25-27-29-30-28-25)16-31-22-9-5-10-23(15-22)32-17-21-13-12-18-6-3-4-11-24(18)26-21;1-2-7-24-20(5-1)10-11-22(28-24)16-30-23-12-8-18(9-13-23)14-19-4-3-6-21(15-19)25-26-17-27-29-25/h2-14,17H,15-16H2,1H3,(H,27,28,30);1-14,18H,15-17H2,(H,27,28,30);1-16,18H,17H2,(H,27,28,30);1-13,15H,14,16-17H2,(H,27,28,29,30);1-13,15,17H,14,16H2,(H,26,27,29)/b;;6-5+
• InChIKey: KDEGAFFAOYEQOP-QZMYATHESA-N
• XLogP: 25.74
• TPSA: 368.26 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 36
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2081.39
LogP ≤ 5	25.74
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[2-methoxy-4-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[(E)-2-[4-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline?

The IUPAC name of 2-[[4-[[2-methoxy-4-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[(E)-2-[4-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline (CID 159100164) is 2-[[4-[[2-methoxy-4-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[(E)-2-[4-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline.

What is the SMILES notation for 2-[[4-[[2-methoxy-4-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[(E)-2-[4-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline?

The canonical SMILES for 2-[[4-[[2-methoxy-4-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[(E)-2-[4-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline is C(=C/c1ccc(-c2ncn[nH]2)cc1)\c1ccc(OCc2ccc3ccccc3n2)cc1.COc1cc(-c2ncn[nH]2)ccc1OCc1ccc(OCc2ccc3ccccc3n2)cc1.c1cc(COc2ccc(OCc3ccc4ccccc4n3)cc2)cc(Cc2ncn[nH]2)c1.c1cc(Cc2ccc(OCc3ccc4ccccc4n3)cc2)cc(-c2ncn[nH]2)c1.c1cc(OCc2ccc3ccccc3n2)cc(OCc2ccccc2Cc2nn[nH]n2)c1.

What is the InChIKey of 2-[[4-[[2-methoxy-4-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[(E)-2-[4-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline?

The InChIKey is KDEGAFFAOYEQOP-QZMYATHESA-N. The full InChI is InChI=1S/C26H22N4O3.C26H22N4O2.C26H20N4O.C25H21N5O2.C25H20N4O/c1-31-25-14-20(26-27-17-28-30-26)9-13-24(25)33-15-18-6-11-22(12-7-18)32-16-21-10-8-19-4-2-3-5-23(19)29-21;1-2-7-25-21(6-1)8-9-22(29-25)17-32-24-12-10-23(11-13-24)31-16-20-5-3-4-19(14-20)15-26-27-18-28-30-26;1-2-4-25-21(3-1)13-14-23(29-25)17-31-24-15-9-20(10-16-24)6-5-19-7-11-22(12-8-19)26-27-18-28-30-26;1-2-8-20(19(7-1)14-25-27-29-30-28-25)16-31-22-9-5-10-23(15-22)32-17-21-13-12-18-6-3-4-11-24(18)26-21;1-2-7-24-20(5-1)10-11-22(28-24)16-30-23-12-8-18(9-13-23)14-19-4-3-6-21(15-19)25-26-17-27-29-25/h2-14,17H,15-16H2,1H3,(H,27,28,30);1-14,18H,15-17H2,(H,27,28,30);1-16,18H,17H2,(H,27,28,30);1-13,15H,14,16-17H2,(H,27,28,29,30);1-13,15,17H,14,16H2,(H,26,27,29)/b;;6-5+;;.

What are the key properties of 2-[[4-[[2-methoxy-4-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[(E)-2-[4-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline?

2-[[4-[[2-methoxy-4-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[(E)-2-[4-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline has a molecular weight of 2081.39 g/mol, XLogP of 25.74, 36 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[[2-methoxy-4-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[(E)-2-[4-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline is sourced from PubChem (CID 159100164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).