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

C106H88N20O5 — CID 158778146

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

2-[[1-methyl-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline;2-[[1-methyl-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[2-[3-(4H-triazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline (PubChem CID 158778146) has the molecular formula C106H88N20O5 and a molecular weight of 1722.00 g/mol. Its IUPAC name is 2-[[1-methyl-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline;2-[[1-methyl-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[2-[3-(4H-triazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline.

Molecular Properties

• Compound Name: 2-[[1-methyl-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline;2-[[1-methyl-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[2-[3-(4H-triazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline
• PubChem CID: 158778146
• Molecular Formula: C106H88N20O5
• Molecular Weight: 1722.00 g/mol
• Exact Mass: 1720.72
• IUPAC Name: 2-[[1-methyl-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline;2-[[1-methyl-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[2-[3-(4H-triazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline
• SMILES: Cn1cc(Cc2cccc(-c3ncn[nH]3)c2)c2ccc(OCc3ccc4ccccc4n3)cc21.Cn1cc(Cc2cccc(-c3nn[nH]n3)c2)c2cc(OCc3ccc4ccccc4n3)ccc21.c1cc(CCc2cccc(C3=NN=NC3)c2)cc(OCc2ccc3ccccc3n2)c1.c1cc(COc2ccc(OCc3ccc4ccccc4n3)cc2)cc(Cc2nn[nH]n2)c1
• InChI: InChI=1S/C28H23N5O.C27H22N6O.C26H22N4O.C25H21N5O2/c1-33-16-22(14-19-5-4-7-21(13-19)28-29-18-30-32-28)25-12-11-24(15-27(25)33)34-17-23-10-9-20-6-2-3-8-26(20)31-23;1-33-16-21(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;1-2-10-25-21(7-1)13-14-23(28-25)18-31-24-9-4-6-20(16-24)12-11-19-5-3-8-22(15-19)26-17-27-30-29-26;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/h2-13,15-16,18H,14,17H2,1H3,(H,29,30,32);2-13,15-16H,14,17H2,1H3,(H,29,30,31,32);1-10,13-16H,11-12,17-18H2;1-14H,15-17H2,(H,27,28,29,30)
• InChIKey: IQSQSLNREKZXAU-UHFFFAOYSA-N
• XLogP: 21.02
• TPSA: 295.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 27
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1722.00
LogP ≤ 5	21.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

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

The IUPAC name of 2-[[1-methyl-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline;2-[[1-methyl-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[2-[3-(4H-triazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline (CID 158778146) is 2-[[1-methyl-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline;2-[[1-methyl-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[2-[3-(4H-triazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline.

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

The canonical SMILES for 2-[[1-methyl-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline;2-[[1-methyl-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[2-[3-(4H-triazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline is Cn1cc(Cc2cccc(-c3ncn[nH]3)c2)c2ccc(OCc3ccc4ccccc4n3)cc21.Cn1cc(Cc2cccc(-c3nn[nH]n3)c2)c2cc(OCc3ccc4ccccc4n3)ccc21.c1cc(CCc2cccc(C3=NN=NC3)c2)cc(OCc2ccc3ccccc3n2)c1.c1cc(COc2ccc(OCc3ccc4ccccc4n3)cc2)cc(Cc2nn[nH]n2)c1.

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

The InChIKey is IQSQSLNREKZXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N5O.C27H22N6O.C26H22N4O.C25H21N5O2/c1-33-16-22(14-19-5-4-7-21(13-19)28-29-18-30-32-28)25-12-11-24(15-27(25)33)34-17-23-10-9-20-6-2-3-8-26(20)31-23;1-33-16-21(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;1-2-10-25-21(7-1)13-14-23(28-25)18-31-24-9-4-6-20(16-24)12-11-19-5-3-8-22(15-19)26-17-27-30-29-26;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/h2-13,15-16,18H,14,17H2,1H3,(H,29,30,32);2-13,15-16H,14,17H2,1H3,(H,29,30,31,32);1-10,13-16H,11-12,17-18H2;1-14H,15-17H2,(H,27,28,29,30).

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

2-[[1-methyl-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline;2-[[1-methyl-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[2-[3-(4H-triazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline has a molecular weight of 1722.00 g/mol, XLogP of 21.02, 27 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[1-methyl-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline;2-[[1-methyl-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]indol-6-yl]oxymethyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[2-[3-(4H-triazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline is sourced from PubChem (CID 158778146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).