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

C205H173N36O18+ — CID 160745206

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

2-[[3-[[2-methoxy-5-(2H-tetrazol-1-ium-1-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(tetrazol-1-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[4-(tetrazol-1-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[(E)-2-[4-(1,2,4-triazol-1-yl)phenyl]ethenyl]phenoxy]methyl]quinoline (PubChem CID 160745206) has the molecular formula C205H173N36O18+ and a molecular weight of 3428.87 g/mol. Its IUPAC name is 2-[[3-[[2-methoxy-5-(2H-tetrazol-1-ium-1-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(tetrazol-1-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[4-(tetrazol-1-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[(E)-2-[4-(1,2,4-triazol-1-yl)phenyl]ethenyl]phenoxy]methyl]quinoline.

Molecular Properties

• Compound Name: 2-[[3-[[2-methoxy-5-(2H-tetrazol-1-ium-1-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(tetrazol-1-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[4-(tetrazol-1-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[(E)-2-[4-(1,2,4-triazol-1-yl)phenyl]ethenyl]phenoxy]methyl]quinoline
• PubChem CID: 160745206
• Molecular Formula: C205H173N36O18+
• Molecular Weight: 3428.87 g/mol
• Exact Mass: 3426.37
• IUPAC Name: 2-[[3-[[2-methoxy-5-(2H-tetrazol-1-ium-1-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(tetrazol-1-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[4-(tetrazol-1-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[(E)-2-[4-(1,2,4-triazol-1-yl)phenyl]ethenyl]phenoxy]methyl]quinoline
• SMILES: C(=C/c1ccc(-n2cncn2)cc1)\c1ccc(OCc2ccc3ccccc3n2)cc1.COc1ccc(-[n+]2cnn[nH]2)cc1OCc1cccc(OCc2ccc3ccccc3n2)c1.c1cc(COc2ccc(OCc3ccc4ccccc4n3)cc2)cc(OCc2ncn[nH]2)c1.c1cc(COc2cccc(OCc3ccc4ccccc4n3)c2)cc(Cc2ncn[nH]2)c1.c1cc(OCc2ccc(CCc3nn[nH]n3)cc2)cc(OCc2ccc3ccccc3n2)c1.c1cc(OCc2ccc(Cn3cnnn3)cc2)cc(OCc2ccc3ccccc3n2)c1.c1cc(OCc2ccc3ccccc3n2)cc(OCc2ccccc2Cn2cncn2)c1.c1cc(OCc2cccc(OCn3cnnn3)c2)cc(OCc2ccc3ccccc3n2)c1
• InChI: InChI=1S/C26H23N5O2.C26H22N4O3.2C26H22N4O2.C26H20N4O.2C25H21N5O3.C25H21N5O2/c1-2-7-25-21(4-1)13-14-22(27-25)18-33-24-6-3-5-23(16-24)32-17-20-10-8-19(9-11-20)12-15-26-28-30-31-29-26;1-2-7-25-20(5-1)8-9-21(29-25)16-32-23-12-10-22(11-13-23)31-15-19-4-3-6-24(14-19)33-17-26-27-18-28-30-26;1-2-10-25-21(7-1)11-12-22(29-25)17-32-24-9-4-8-23(15-24)31-16-20-6-3-5-19(13-20)14-26-27-18-28-30-26;1-2-8-22(21(7-1)15-30-19-27-18-28-30)16-31-24-9-5-10-25(14-24)32-17-23-13-12-20-6-3-4-11-26(20)29-23;1-2-4-26-22(3-1)11-12-23(29-26)17-31-25-15-9-21(10-16-25)6-5-20-7-13-24(14-8-20)30-19-27-18-28-30;1-31-24-12-11-21(30-17-26-28-29-30)14-25(24)33-15-18-5-4-7-22(13-18)32-16-20-10-9-19-6-2-3-8-23(19)27-20;1-2-10-25-20(6-1)11-12-21(27-25)16-32-24-9-4-8-23(14-24)31-15-19-5-3-7-22(13-19)33-18-30-17-26-28-29-30;1-2-7-25-21(4-1)12-13-22(27-25)17-32-24-6-3-5-23(14-24)31-16-20-10-8-19(9-11-20)15-30-18-26-28-29-30/h1-11,13-14,16H,12,15,17-18H2,(H,28,29,30,31);1-14,18H,15-17H2,(H,27,28,30);1-13,15,18H,14,16-17H2,(H,27,28,30);1-14,18-19H,15-17H2;1-16,18-19H,17H2;2-14,17H,15-16H2,1H3;1-14,17H,15-16,18H2;1-14,18H,15-17H2/p+1/b;;;;6-5+
• InChIKey: VLECHQJMAPOPDD-MUAHOBOUSA-O
• XLogP: 38.12
• TPSA: 600.93 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 49
• Rotatable Bonds: 65
• Heavy Atoms: 259
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3428.87
LogP ≤ 5	38.12
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-[[3-[[2-methoxy-5-(2H-tetrazol-1-ium-1-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(tetrazol-1-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[4-(tetrazol-1-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[(E)-2-[4-(1,2,4-triazol-1-yl)phenyl]ethenyl]phenoxy]methyl]quinoline (CID 160745206) is 2-[[3-[[2-methoxy-5-(2H-tetrazol-1-ium-1-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(tetrazol-1-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[4-(tetrazol-1-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[(E)-2-[4-(1,2,4-triazol-1-yl)phenyl]ethenyl]phenoxy]methyl]quinoline.

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

The canonical SMILES for 2-[[3-[[2-methoxy-5-(2H-tetrazol-1-ium-1-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(tetrazol-1-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[4-(tetrazol-1-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[(E)-2-[4-(1,2,4-triazol-1-yl)phenyl]ethenyl]phenoxy]methyl]quinoline is C(=C/c1ccc(-n2cncn2)cc1)\c1ccc(OCc2ccc3ccccc3n2)cc1.COc1ccc(-[n+]2cnn[nH]2)cc1OCc1cccc(OCc2ccc3ccccc3n2)c1.c1cc(COc2ccc(OCc3ccc4ccccc4n3)cc2)cc(OCc2ncn[nH]2)c1.c1cc(COc2cccc(OCc3ccc4ccccc4n3)c2)cc(Cc2ncn[nH]2)c1.c1cc(OCc2ccc(CCc3nn[nH]n3)cc2)cc(OCc2ccc3ccccc3n2)c1.c1cc(OCc2ccc(Cn3cnnn3)cc2)cc(OCc2ccc3ccccc3n2)c1.c1cc(OCc2ccc3ccccc3n2)cc(OCc2ccccc2Cn2cncn2)c1.c1cc(OCc2cccc(OCn3cnnn3)c2)cc(OCc2ccc3ccccc3n2)c1.

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

The InChIKey is VLECHQJMAPOPDD-MUAHOBOUSA-O. The full InChI is InChI=1S/C26H23N5O2.C26H22N4O3.2C26H22N4O2.C26H20N4O.2C25H21N5O3.C25H21N5O2/c1-2-7-25-21(4-1)13-14-22(27-25)18-33-24-6-3-5-23(16-24)32-17-20-10-8-19(9-11-20)12-15-26-28-30-31-29-26;1-2-7-25-20(5-1)8-9-21(29-25)16-32-23-12-10-22(11-13-23)31-15-19-4-3-6-24(14-19)33-17-26-27-18-28-30-26;1-2-10-25-21(7-1)11-12-22(29-25)17-32-24-9-4-8-23(15-24)31-16-20-6-3-5-19(13-20)14-26-27-18-28-30-26;1-2-8-22(21(7-1)15-30-19-27-18-28-30)16-31-24-9-5-10-25(14-24)32-17-23-13-12-20-6-3-4-11-26(20)29-23;1-2-4-26-22(3-1)11-12-23(29-26)17-31-25-15-9-21(10-16-25)6-5-20-7-13-24(14-8-20)30-19-27-18-28-30;1-31-24-12-11-21(30-17-26-28-29-30)14-25(24)33-15-18-5-4-7-22(13-18)32-16-20-10-9-19-6-2-3-8-23(19)27-20;1-2-10-25-20(6-1)11-12-21(27-25)16-32-24-9-4-8-23(14-24)31-15-19-5-3-7-22(13-19)33-18-30-17-26-28-29-30;1-2-7-25-21(4-1)12-13-22(27-25)17-32-24-6-3-5-23(14-24)31-16-20-10-8-19(9-11-20)15-30-18-26-28-29-30/h1-11,13-14,16H,12,15,17-18H2,(H,28,29,30,31);1-14,18H,15-17H2,(H,27,28,30);1-13,15,18H,14,16-17H2,(H,27,28,30);1-14,18-19H,15-17H2;1-16,18-19H,17H2;2-14,17H,15-16H2,1H3;1-14,17H,15-16,18H2;1-14,18H,15-17H2/p+1/b;;;;6-5+;;;.

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

2-[[3-[[2-methoxy-5-(2H-tetrazol-1-ium-1-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(tetrazol-1-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[4-(tetrazol-1-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[(E)-2-[4-(1,2,4-triazol-1-yl)phenyl]ethenyl]phenoxy]methyl]quinoline has a molecular weight of 3428.87 g/mol, XLogP of 38.12, 65 rotatable bonds, 4 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-[[2-methoxy-5-(2H-tetrazol-1-ium-1-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(tetrazol-1-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[4-(tetrazol-1-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[(E)-2-[4-(1,2,4-triazol-1-yl)phenyl]ethenyl]phenoxy]methyl]quinoline is sourced from PubChem (CID 160745206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).