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

C106H99N21O5 — CID 159410387

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

methane;2-[[1-methyl-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[(E)-2-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline (PubChem CID 159410387) has the molecular formula C106H99N21O5 and a molecular weight of 1747.10 g/mol. Its IUPAC name is methane;2-[[1-methyl-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[(E)-2-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline.

Molecular Properties

• Compound Name: methane;2-[[1-methyl-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[(E)-2-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline
• PubChem CID: 159410387
• Molecular Formula: C106H99N21O5
• Molecular Weight: 1747.10 g/mol
• Exact Mass: 1745.81
• IUPAC Name: methane;2-[[1-methyl-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[(E)-2-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline
• SMILES: C.C.C.C.C(=C/c1cccc(-c2nn[nH]n2)c1)\c1cccc(OCc2ccc3ccccc3n2)c1.Cn1cc(Cc2cccc(-c3nn[nH]n3)c2)c2cc(OCc3ccc4ccccc4n3)ccc21.c1cc(CCc2cccc(-c3nn[nH]n3)c2)cc(OCc2ccc3ccccc3n2)c1.c1cc(COc2ccc(OCc3ccc4ccccc4n3)cc2)cc(Cc2nn[nH]n2)c1
• InChI: InChI=1S/C27H22N6O.C25H21N5O2.C25H21N5O.C25H19N5O.4CH4/c1-33-16-21(14-18-5-4-7-20(13-18)27-29-31-32-30-27)24-15-23(11-12-26(24)33)34-17-22-10-9-19-6-2-3-8-25(19)28-22;1-2-7-24-20(6-1)8-9-21(26-24)17-32-23-12-10-22(11-13-23)31-16-19-5-3-4-18(14-19)15-25-27-29-30-28-25;2*1-2-10-24-20(7-1)13-14-22(26-24)17-31-23-9-4-6-19(16-23)12-11-18-5-3-8-21(15-18)25-27-29-30-28-25;;;;/h2-13,15-16H,14,17H2,1H3,(H,29,30,31,32);1-14H,15-17H2,(H,27,28,29,30);1-10,13-16H,11-12,17H2,(H,27,28,29,30);1-16H,17H2,(H,27,28,29,30);4*1H4/b;;;12-11+
• InChIKey: LOMQUMXIFQTJFH-KQTRSVBNSA-N
• XLogP: 22.06
• TPSA: 320.48 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 27
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1747.10
LogP ≤ 5	22.06
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of methane;2-[[1-methyl-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[(E)-2-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline (CID 159410387) is methane;2-[[1-methyl-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[(E)-2-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline.

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

The canonical SMILES for methane;2-[[1-methyl-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[(E)-2-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline is C.C.C.C.C(=C/c1cccc(-c2nn[nH]n2)c1)\c1cccc(OCc2ccc3ccccc3n2)c1.Cn1cc(Cc2cccc(-c3nn[nH]n3)c2)c2cc(OCc3ccc4ccccc4n3)ccc21.c1cc(CCc2cccc(-c3nn[nH]n3)c2)cc(OCc2ccc3ccccc3n2)c1.c1cc(COc2ccc(OCc3ccc4ccccc4n3)cc2)cc(Cc2nn[nH]n2)c1.

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

The InChIKey is LOMQUMXIFQTJFH-KQTRSVBNSA-N. The full InChI is InChI=1S/C27H22N6O.C25H21N5O2.C25H21N5O.C25H19N5O.4CH4/c1-33-16-21(14-18-5-4-7-20(13-18)27-29-31-32-30-27)24-15-23(11-12-26(24)33)34-17-22-10-9-19-6-2-3-8-25(19)28-22;1-2-7-24-20(6-1)8-9-21(26-24)17-32-23-12-10-22(11-13-23)31-16-19-5-3-4-18(14-19)15-25-27-29-30-28-25;2*1-2-10-24-20(7-1)13-14-22(26-24)17-31-23-9-4-6-19(16-23)12-11-18-5-3-8-21(15-18)25-27-29-30-28-25;;;;/h2-13,15-16H,14,17H2,1H3,(H,29,30,31,32);1-14H,15-17H2,(H,27,28,29,30);1-10,13-16H,11-12,17H2,(H,27,28,29,30);1-16H,17H2,(H,27,28,29,30);4*1H4/b;;;12-11+;;;;.

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

methane;2-[[1-methyl-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[(E)-2-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline has a molecular weight of 1747.10 g/mol, XLogP of 22.06, 27 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for methane;2-[[1-methyl-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[(E)-2-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline is sourced from PubChem (CID 159410387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).