1-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one;2-[[3-[(3-ethylphenyl)methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline

C127H109ClN16O12 — CID 90763355

About 1-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one;2-[[3-[(3-ethylphenyl)methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline

1-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one;2-[[3-[(3-ethylphenyl)methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline (PubChem CID 90763355) has the molecular formula C127H109ClN16O12 and a molecular weight of 2086.82 g/mol. Its IUPAC name is 1-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one;2-[[3-[(3-ethylphenyl)methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline.

Molecular Properties

• Compound Name: 1-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one;2-[[3-[(3-ethylphenyl)methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline
• PubChem CID: 90763355
• Molecular Formula: C127H109ClN16O12
• Molecular Weight: 2086.82 g/mol
• Exact Mass: 2084.81
• IUPAC Name: 1-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one;2-[[3-[(3-ethylphenyl)methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline
• SMILES: CC(=O)COc1c(Cl)cccc1COc1cccc(OCc2ccc3ccccc3n2)c1.CCc1cccc(COc2cccc(OCc3ccc4ccccc4n3)c2)c1.c1cc(COc2ccc(OCc3ccc4ccccc4n3)cc2)cc(Cc2ncn[nH]2)c1.c1cc(COc2cccc(OCc3ccc4ccccc4n3)c2)cc(Cc2nn[nH]n2)c1.c1ccc(Cc2nn[nH]n2)c(COc2ccc(OCc3ccc4ccccc4n3)cc2)c1
• InChI: InChI=1S/C26H22ClNO4.C26H22N4O2.2C25H21N5O2.C25H23NO2/c1-18(29)15-32-26-20(7-4-10-24(26)27)16-30-22-8-5-9-23(14-22)31-17-21-13-12-19-6-2-3-11-25(19)28-21;1-2-7-25-21(6-1)8-9-22(29-25)17-32-24-12-10-23(11-13-24)31-16-20-5-3-4-19(14-20)15-26-27-18-28-30-26;1-2-10-24-20(7-1)11-12-21(26-24)17-32-23-9-4-8-22(15-23)31-16-19-6-3-5-18(13-19)14-25-27-29-30-28-25;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;1-2-19-7-5-8-20(15-19)17-27-23-10-6-11-24(16-23)28-18-22-14-13-21-9-3-4-12-25(21)26-22/h2-14H,15-17H2,1H3;1-14,18H,15-17H2,(H,27,28,30);1-13,15H,14,16-17H2,(H,27,28,29,30);1-14H,15-17H2,(H,27,28,29,30);3-16H,2,17-18H2,1H3
• InChIKey: YELIEXOETRCQND-UHFFFAOYSA-N
• XLogP: 26.06
• TPSA: 333.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 40
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2086.82
LogP ≤ 5	26.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one;2-[[3-[(3-ethylphenyl)methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline?

The IUPAC name of 1-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one;2-[[3-[(3-ethylphenyl)methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline (CID 90763355) is 1-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one;2-[[3-[(3-ethylphenyl)methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline.

What is the SMILES notation for 1-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one;2-[[3-[(3-ethylphenyl)methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline?

The canonical SMILES for 1-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one;2-[[3-[(3-ethylphenyl)methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline is CC(=O)COc1c(Cl)cccc1COc1cccc(OCc2ccc3ccccc3n2)c1.CCc1cccc(COc2cccc(OCc3ccc4ccccc4n3)c2)c1.c1cc(COc2ccc(OCc3ccc4ccccc4n3)cc2)cc(Cc2ncn[nH]2)c1.c1cc(COc2cccc(OCc3ccc4ccccc4n3)c2)cc(Cc2nn[nH]n2)c1.c1ccc(Cc2nn[nH]n2)c(COc2ccc(OCc3ccc4ccccc4n3)cc2)c1.

What is the InChIKey of 1-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one;2-[[3-[(3-ethylphenyl)methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline?

The InChIKey is YELIEXOETRCQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClNO4.C26H22N4O2.2C25H21N5O2.C25H23NO2/c1-18(29)15-32-26-20(7-4-10-24(26)27)16-30-22-8-5-9-23(14-22)31-17-21-13-12-19-6-2-3-11-25(19)28-21;1-2-7-25-21(6-1)8-9-22(29-25)17-32-24-12-10-23(11-13-24)31-16-20-5-3-4-19(14-20)15-26-27-18-28-30-26;1-2-10-24-20(7-1)11-12-21(26-24)17-32-23-9-4-8-22(15-23)31-16-19-6-3-5-18(13-19)14-25-27-29-30-28-25;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;1-2-19-7-5-8-20(15-19)17-27-23-10-6-11-24(16-23)28-18-22-14-13-21-9-3-4-12-25(21)26-22/h2-14H,15-17H2,1H3;1-14,18H,15-17H2,(H,27,28,30);1-13,15H,14,16-17H2,(H,27,28,29,30);1-14H,15-17H2,(H,27,28,29,30);3-16H,2,17-18H2,1H3.

What are the key properties of 1-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one;2-[[3-[(3-ethylphenyl)methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline?

1-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one;2-[[3-[(3-ethylphenyl)methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline has a molecular weight of 2086.82 g/mol, XLogP of 26.06, 40 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one;2-[[3-[(3-ethylphenyl)methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline is sourced from PubChem (CID 90763355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).