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

C103H87N17O10 — CID 158527084

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

2-[[3-[[2-methoxy-5-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[2-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline (PubChem CID 158527084) has the molecular formula C103H87N17O10 and a molecular weight of 1722.94 g/mol. Its IUPAC name is 2-[[3-[[2-methoxy-5-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[2-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline.

Molecular Properties

• Compound Name: 2-[[3-[[2-methoxy-5-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[2-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline
• PubChem CID: 158527084
• Molecular Formula: C103H87N17O10
• Molecular Weight: 1722.94 g/mol
• Exact Mass: 1721.68
• IUPAC Name: 2-[[3-[[2-methoxy-5-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[2-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline
• SMILES: COc1ccc(-c2nn[nH]n2)cc1OCc1cccc(OCc2ccc3ccccc3n2)c1.c1cc(COc2ccc(OCc3ccc4ccccc4n3)cc2)cc(OCc2ncn[nH]2)c1.c1cc(COc2cccc(OCc3ccc4ccccc4n3)c2)cc(Cc2ncn[nH]2)c1.c1cc(OCc2ccc3ccccc3n2)cc(OCc2ccccc2Cc2ncn[nH]2)c1
• InChI: InChI=1S/C26H22N4O3.2C26H22N4O2.C25H21N5O3/c1-2-7-25-20(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;1-2-8-21(20(7-1)14-26-27-18-28-30-26)16-31-23-9-5-10-24(15-23)32-17-22-13-12-19-6-3-4-11-25(19)29-22;1-31-23-12-10-19(25-27-29-30-28-25)14-24(23)33-15-17-5-4-7-21(13-17)32-16-20-11-9-18-6-2-3-8-22(18)26-20/h1-14,18H,15-17H2,(H,27,28,30);2*1-13,15,18H,14,16-17H2,(H,27,28,30);2-14H,15-16H2,1H3,(H,27,28,29,30)
• InChIKey: HMXKOEDCXPZHFI-UHFFFAOYSA-N
• XLogP: 19.87
• TPSA: 323.03 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 33
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1722.94
LogP ≤ 5	19.87
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

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

The IUPAC name of 2-[[3-[[2-methoxy-5-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[2-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline (CID 158527084) is 2-[[3-[[2-methoxy-5-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[2-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline.

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

The canonical SMILES for 2-[[3-[[2-methoxy-5-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[2-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline is COc1ccc(-c2nn[nH]n2)cc1OCc1cccc(OCc2ccc3ccccc3n2)c1.c1cc(COc2ccc(OCc3ccc4ccccc4n3)cc2)cc(OCc2ncn[nH]2)c1.c1cc(COc2cccc(OCc3ccc4ccccc4n3)c2)cc(Cc2ncn[nH]2)c1.c1cc(OCc2ccc3ccccc3n2)cc(OCc2ccccc2Cc2ncn[nH]2)c1.

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

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

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

2-[[3-[[2-methoxy-5-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[2-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline has a molecular weight of 1722.94 g/mol, XLogP of 19.87, 33 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-[[2-methoxy-5-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[2-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline is sourced from PubChem (CID 158527084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).