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

C99H78N18O8 — CID 158449405

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

2-[[3-[[2-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[4-(1,2,4-triazacyclopenta-2,4,5-trien-3-ylmethyl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[4-[[4-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline (PubChem CID 158449405) has the molecular formula C99H78N18O8 and a molecular weight of 1647.83 g/mol. Its IUPAC name is 2-[[3-[[2-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[4-(1,2,4-triazacyclopenta-2,4,5-trien-3-ylmethyl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[4-[[4-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline.

Molecular Properties

• Compound Name: 2-[[3-[[2-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[4-(1,2,4-triazacyclopenta-2,4,5-trien-3-ylmethyl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[4-[[4-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline
• PubChem CID: 158449405
• Molecular Formula: C99H78N18O8
• Molecular Weight: 1647.83 g/mol
• Exact Mass: 1646.63
• IUPAC Name: 2-[[3-[[2-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[4-(1,2,4-triazacyclopenta-2,4,5-trien-3-ylmethyl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[4-[[4-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline
• SMILES: C1=NN=C(Cc2ccc(OCc3ccc(OCc4ccc5ccccc5n4)cc3)cc2)N=1.c1cc(OCc2ccc(-c3nn[nH]n3)cc2)cc(OCc2ccc3ccccc3n2)c1.c1cc(OCc2ccc3ccccc3n2)cc(OCc2ccccc2-c2nn[nH]n2)c1.c1ccc2nc(COc3ccc(COc4ccc(-c5ncn[nH]5)cc4)cc3)ccc2c1
• InChI: InChI=1S/C26H20N4O2.C25H20N4O2.2C24H19N5O2/c1-2-4-25-21(3-1)9-10-22(29-25)17-32-24-13-7-20(8-14-24)16-31-23-11-5-19(6-12-23)15-26-27-18-28-30-26;1-2-4-24-19(3-1)7-10-21(28-24)16-31-22-11-5-18(6-12-22)15-30-23-13-8-20(9-14-23)25-26-17-27-29-25;1-3-10-22(24-26-28-29-27-24)18(7-1)15-30-20-8-5-9-21(14-20)31-16-19-13-12-17-6-2-4-11-23(17)25-19;1-2-7-23-18(4-1)12-13-20(25-23)16-31-22-6-3-5-21(14-22)30-15-17-8-10-19(11-9-17)24-26-28-29-27-24/h1-14H,15-17H2;1-14,17H,15-16H2,(H,26,27,29);2*1-14H,15-16H2,(H,26,27,28,29)
• InChIKey: HDUJJKUTOIMAPN-UHFFFAOYSA-N
• XLogP: 19.76
• TPSA: 312.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 29
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1647.83
LogP ≤ 5	19.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

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

The IUPAC name of 2-[[3-[[2-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[4-(1,2,4-triazacyclopenta-2,4,5-trien-3-ylmethyl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[4-[[4-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline (CID 158449405) is 2-[[3-[[2-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[4-(1,2,4-triazacyclopenta-2,4,5-trien-3-ylmethyl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[4-[[4-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline.

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

The canonical SMILES for 2-[[3-[[2-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[4-(1,2,4-triazacyclopenta-2,4,5-trien-3-ylmethyl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[4-[[4-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline is C1=NN=C(Cc2ccc(OCc3ccc(OCc4ccc5ccccc5n4)cc3)cc2)N=1.c1cc(OCc2ccc(-c3nn[nH]n3)cc2)cc(OCc2ccc3ccccc3n2)c1.c1cc(OCc2ccc3ccccc3n2)cc(OCc2ccccc2-c2nn[nH]n2)c1.c1ccc2nc(COc3ccc(COc4ccc(-c5ncn[nH]5)cc4)cc3)ccc2c1.

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

The InChIKey is HDUJJKUTOIMAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O2.C25H20N4O2.2C24H19N5O2/c1-2-4-25-21(3-1)9-10-22(29-25)17-32-24-13-7-20(8-14-24)16-31-23-11-5-19(6-12-23)15-26-27-18-28-30-26;1-2-4-24-19(3-1)7-10-21(28-24)16-31-22-11-5-18(6-12-22)15-30-23-13-8-20(9-14-23)25-26-17-27-29-25;1-3-10-22(24-26-28-29-27-24)18(7-1)15-30-20-8-5-9-21(14-20)31-16-19-13-12-17-6-2-4-11-23(17)25-19;1-2-7-23-18(4-1)12-13-20(25-23)16-31-22-6-3-5-21(14-22)30-15-17-8-10-19(11-9-17)24-26-28-29-27-24/h1-14H,15-17H2;1-14,17H,15-16H2,(H,26,27,29);2*1-14H,15-16H2,(H,26,27,28,29).

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

2-[[3-[[2-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[4-(1,2,4-triazacyclopenta-2,4,5-trien-3-ylmethyl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[4-[[4-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline has a molecular weight of 1647.83 g/mol, XLogP of 19.76, 29 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-[[2-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[4-(1,2,4-triazacyclopenta-2,4,5-trien-3-ylmethyl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[4-[[4-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline is sourced from PubChem (CID 158449405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).