methane;2-[[4-[[2-methoxy-5-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[1-methyl-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[(E)-2-[4-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline

C106H96N20O7 — CID 158379869

About methane;2-[[4-[[2-methoxy-5-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[1-methyl-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[(E)-2-[4-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline

methane;2-[[4-[[2-methoxy-5-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[1-methyl-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[(E)-2-[4-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline (PubChem CID 158379869) has the molecular formula C106H96N20O7 and a molecular weight of 1762.07 g/mol. Its IUPAC name is methane;2-[[4-[[2-methoxy-5-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[1-methyl-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[(E)-2-[4-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline.

Molecular Properties

• Compound Name: methane;2-[[4-[[2-methoxy-5-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[1-methyl-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[(E)-2-[4-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline
• PubChem CID: 158379869
• Molecular Formula: C106H96N20O7
• Molecular Weight: 1762.07 g/mol
• Exact Mass: 1760.78
• IUPAC Name: methane;2-[[4-[[2-methoxy-5-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[1-methyl-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[(E)-2-[4-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline
• SMILES: C.C.C.C(=C/c1cccc(OCc2ccc3ccccc3n2)c1)\c1ccc(-c2nn[nH]n2)cc1.COc1ccc(-c2ncn[nH]2)cc1OCc1ccc(OCc2ccc3ccccc3n2)cc1.Cn1cc(Cc2cccc(-c3nn[nH]n3)c2)c2ccc(OCc3ccc4ccccc4n3)cc21.c1ccc(Cc2nn[nH]n2)c(COc2ccc(OCc3ccc4ccccc4n3)cc2)c1
• InChI: InChI=1S/C27H22N6O.C26H22N4O3.C25H21N5O2.C25H19N5O.3CH4/c1-33-16-21(14-18-5-4-7-20(13-18)27-29-31-32-30-27)24-12-11-23(15-26(24)33)34-17-22-10-9-19-6-2-3-8-25(19)28-22;1-31-24-13-9-20(26-27-17-28-30-26)14-25(24)33-15-18-6-11-22(12-7-18)32-16-21-10-8-19-4-2-3-5-23(19)29-21;1-2-7-20(19(6-1)15-25-27-29-30-28-25)16-31-22-11-13-23(14-12-22)32-17-21-10-9-18-5-3-4-8-24(18)26-21;1-2-7-24-20(5-1)14-15-22(26-24)17-31-23-6-3-4-19(16-23)9-8-18-10-12-21(13-11-18)25-27-29-30-28-25;;;/h2-13,15-16H,14,17H2,1H3,(H,29,30,31,32);2-14,17H,15-16H2,1H3,(H,27,28,30);1-14H,15-17H2,(H,27,28,29,30);1-16H,17H2,(H,27,28,29,30);3*1H4/b;;;9-8+
• InChIKey: GVQRLBYFNRHXSW-IJLWCDSASA-N
• XLogP: 21.83
• TPSA: 326.05 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 28
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1762.07
LogP ≤ 5	21.83
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methane;2-[[4-[[2-methoxy-5-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[1-methyl-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[(E)-2-[4-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline?

The IUPAC name of methane;2-[[4-[[2-methoxy-5-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[1-methyl-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[(E)-2-[4-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline (CID 158379869) is methane;2-[[4-[[2-methoxy-5-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[1-methyl-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[(E)-2-[4-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline.

What is the SMILES notation for methane;2-[[4-[[2-methoxy-5-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[1-methyl-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[(E)-2-[4-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline?

The canonical SMILES for methane;2-[[4-[[2-methoxy-5-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[1-methyl-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[(E)-2-[4-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline is C.C.C.C(=C/c1cccc(OCc2ccc3ccccc3n2)c1)\c1ccc(-c2nn[nH]n2)cc1.COc1ccc(-c2ncn[nH]2)cc1OCc1ccc(OCc2ccc3ccccc3n2)cc1.Cn1cc(Cc2cccc(-c3nn[nH]n3)c2)c2ccc(OCc3ccc4ccccc4n3)cc21.c1ccc(Cc2nn[nH]n2)c(COc2ccc(OCc3ccc4ccccc4n3)cc2)c1.

What is the InChIKey of methane;2-[[4-[[2-methoxy-5-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[1-methyl-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[(E)-2-[4-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline?

The InChIKey is GVQRLBYFNRHXSW-IJLWCDSASA-N. The full InChI is InChI=1S/C27H22N6O.C26H22N4O3.C25H21N5O2.C25H19N5O.3CH4/c1-33-16-21(14-18-5-4-7-20(13-18)27-29-31-32-30-27)24-12-11-23(15-26(24)33)34-17-22-10-9-19-6-2-3-8-25(19)28-22;1-31-24-13-9-20(26-27-17-28-30-26)14-25(24)33-15-18-6-11-22(12-7-18)32-16-21-10-8-19-4-2-3-5-23(19)29-21;1-2-7-20(19(6-1)15-25-27-29-30-28-25)16-31-22-11-13-23(14-12-22)32-17-21-10-9-18-5-3-4-8-24(18)26-21;1-2-7-24-20(5-1)14-15-22(26-24)17-31-23-6-3-4-19(16-23)9-8-18-10-12-21(13-11-18)25-27-29-30-28-25;;;/h2-13,15-16H,14,17H2,1H3,(H,29,30,31,32);2-14,17H,15-16H2,1H3,(H,27,28,30);1-14H,15-17H2,(H,27,28,29,30);1-16H,17H2,(H,27,28,29,30);3*1H4/b;;;9-8+;;;.

What are the key properties of methane;2-[[4-[[2-methoxy-5-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[1-methyl-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[(E)-2-[4-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline?

methane;2-[[4-[[2-methoxy-5-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[1-methyl-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[(E)-2-[4-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline has a molecular weight of 1762.07 g/mol, XLogP of 21.83, 28 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for methane;2-[[4-[[2-methoxy-5-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[1-methyl-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[(E)-2-[4-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline is sourced from PubChem (CID 158379869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).