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

C103H85N17O8 — CID 90714068

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-[[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 (PubChem CID 90714068) has the molecular formula C103H85N17O8 and a molecular weight of 1688.92 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.

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
• PubChem CID: 90714068
• Molecular Formula: C103H85N17O8
• Molecular Weight: 1688.92 g/mol
• Exact Mass: 1687.68
• 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
• 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(OCc2ccc3ccccc3n2)cc(OCc2ccccc2Cc2nn[nH]n2)c1
• InChI: InChI=1S/C26H22N4O3.C26H22N4O2.C26H20N4O.C25H21N5O2/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/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)/b;;6-5+
• InChIKey: IBNXTZUPMQBODL-NNDYSKATSA-N
• XLogP: 20.55
• TPSA: 304.57 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 30
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1688.92
LogP ≤ 5	20.55
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

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?

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 (CID 90714068) 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.

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?

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 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(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?

The InChIKey is IBNXTZUPMQBODL-NNDYSKATSA-N. The full InChI is InChI=1S/C26H22N4O3.C26H22N4O2.C26H20N4O.C25H21N5O2/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/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)/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-[[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 has a molecular weight of 1688.92 g/mol, XLogP of 20.55, 30 rotatable bonds, 4 hydrogen bond donors, and 21 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 is sourced from PubChem (CID 90714068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).