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

C102H81N17O7 — CID 159120120

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

2-[[4-[[2-methoxy-4-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[4-[(E)-2-[4-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline;3-[[3-[(E)-2-[3-(4H-triazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline;2-[[4-[[3-(2H-triazol-4-yl)phenyl]methoxy]phenoxy]methyl]quinoline (PubChem CID 159120120) has the molecular formula C102H81N17O7 and a molecular weight of 1656.88 g/mol. Its IUPAC name is 2-[[4-[[2-methoxy-4-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[4-[(E)-2-[4-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline;3-[[3-[(E)-2-[3-(4H-triazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline;2-[[4-[[3-(2H-triazol-4-yl)phenyl]methoxy]phenoxy]methyl]quinoline.

Molecular Properties

• Compound Name: 2-[[4-[[2-methoxy-4-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[4-[(E)-2-[4-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline;3-[[3-[(E)-2-[3-(4H-triazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline;2-[[4-[[3-(2H-triazol-4-yl)phenyl]methoxy]phenoxy]methyl]quinoline
• PubChem CID: 159120120
• Molecular Formula: C102H81N17O7
• Molecular Weight: 1656.88 g/mol
• Exact Mass: 1655.65
• IUPAC Name: 2-[[4-[[2-methoxy-4-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[4-[(E)-2-[4-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline;3-[[3-[(E)-2-[3-(4H-triazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline;2-[[4-[[3-(2H-triazol-4-yl)phenyl]methoxy]phenoxy]methyl]quinoline
• SMILES: C(=C/c1ccc(-c2ncn[nH]2)cc1)\c1ccc(OCc2ccc3ccccc3n2)cc1.C(=C/c1cccc(C2=NN=NC2)c1)\c1cccc(OCc2cnc3ccccc3c2)c1.COc1cc(-c2nn[nH]n2)ccc1OCc1ccc(OCc2ccc3ccccc3n2)cc1.c1cc(COc2ccc(OCc3ccc4ccccc4n3)cc2)cc(-c2cn[nH]n2)c1
• InChI: InChI=1S/2C26H20N4O.C25H21N5O3.C25H20N4O2/c1-2-10-25-22(7-1)14-21(16-27-25)18-31-24-9-4-6-20(15-24)12-11-19-5-3-8-23(13-19)26-17-28-30-29-26;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;1-31-24-14-19(25-27-29-30-28-25)9-13-23(24)33-15-17-6-11-21(12-7-17)32-16-20-10-8-18-4-2-3-5-22(18)26-20;1-2-7-24-19(5-1)8-9-21(27-24)17-31-23-12-10-22(11-13-23)30-16-18-4-3-6-20(14-18)25-15-26-29-28-25/h1-16H,17-18H2;1-16,18H,17H2,(H,27,28,30);2-14H,15-16H2,1H3,(H,27,28,29,30);1-15H,16-17H2,(H,26,28,29)/b12-11+;6-5+
• InChIKey: KFOZKCJFYRLSBN-DWKBWJGISA-N
• XLogP: 21.68
• TPSA: 290.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 27
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1656.88
LogP ≤ 5	21.68
H-Bond Donors ≤ 5	3
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-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[4-[(E)-2-[4-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline;3-[[3-[(E)-2-[3-(4H-triazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline;2-[[4-[[3-(2H-triazol-4-yl)phenyl]methoxy]phenoxy]methyl]quinoline?

The IUPAC name of 2-[[4-[[2-methoxy-4-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[4-[(E)-2-[4-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline;3-[[3-[(E)-2-[3-(4H-triazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline;2-[[4-[[3-(2H-triazol-4-yl)phenyl]methoxy]phenoxy]methyl]quinoline (CID 159120120) is 2-[[4-[[2-methoxy-4-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[4-[(E)-2-[4-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline;3-[[3-[(E)-2-[3-(4H-triazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline;2-[[4-[[3-(2H-triazol-4-yl)phenyl]methoxy]phenoxy]methyl]quinoline.

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

The canonical SMILES for 2-[[4-[[2-methoxy-4-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[4-[(E)-2-[4-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline;3-[[3-[(E)-2-[3-(4H-triazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline;2-[[4-[[3-(2H-triazol-4-yl)phenyl]methoxy]phenoxy]methyl]quinoline is C(=C/c1ccc(-c2ncn[nH]2)cc1)\c1ccc(OCc2ccc3ccccc3n2)cc1.C(=C/c1cccc(C2=NN=NC2)c1)\c1cccc(OCc2cnc3ccccc3c2)c1.COc1cc(-c2nn[nH]n2)ccc1OCc1ccc(OCc2ccc3ccccc3n2)cc1.c1cc(COc2ccc(OCc3ccc4ccccc4n3)cc2)cc(-c2cn[nH]n2)c1.

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

The InChIKey is KFOZKCJFYRLSBN-DWKBWJGISA-N. The full InChI is InChI=1S/2C26H20N4O.C25H21N5O3.C25H20N4O2/c1-2-10-25-22(7-1)14-21(16-27-25)18-31-24-9-4-6-20(15-24)12-11-19-5-3-8-23(13-19)26-17-28-30-29-26;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;1-31-24-14-19(25-27-29-30-28-25)9-13-23(24)33-15-17-6-11-21(12-7-17)32-16-20-10-8-18-4-2-3-5-22(18)26-20;1-2-7-24-19(5-1)8-9-21(27-24)17-31-23-12-10-22(11-13-23)30-16-18-4-3-6-20(14-18)25-15-26-29-28-25/h1-16H,17-18H2;1-16,18H,17H2,(H,27,28,30);2-14H,15-16H2,1H3,(H,27,28,29,30);1-15H,16-17H2,(H,26,28,29)/b12-11+;6-5+;;.

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

2-[[4-[[2-methoxy-4-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[4-[(E)-2-[4-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline;3-[[3-[(E)-2-[3-(4H-triazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline;2-[[4-[[3-(2H-triazol-4-yl)phenyl]methoxy]phenoxy]methyl]quinoline has a molecular weight of 1656.88 g/mol, XLogP of 21.68, 27 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[[2-methoxy-4-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[4-[(E)-2-[4-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline;3-[[3-[(E)-2-[3-(4H-triazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline;2-[[4-[[3-(2H-triazol-4-yl)phenyl]methoxy]phenoxy]methyl]quinoline is sourced from PubChem (CID 159120120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).