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

C76H66N10O8 — CID 158644264

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

2-[[3-[(3-ethylphenyl)methoxy]phenoxy]methyl]quinoline;2-[[3-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[2-methoxy-5-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline (PubChem CID 158644264) has the molecular formula C76H66N10O8 and a molecular weight of 1247.43 g/mol. Its IUPAC name is 2-[[3-[(3-ethylphenyl)methoxy]phenoxy]methyl]quinoline;2-[[3-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[2-methoxy-5-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline.

Molecular Properties

• Compound Name: 2-[[3-[(3-ethylphenyl)methoxy]phenoxy]methyl]quinoline;2-[[3-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[2-methoxy-5-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline
• PubChem CID: 158644264
• Molecular Formula: C76H66N10O8
• Molecular Weight: 1247.43 g/mol
• Exact Mass: 1246.51
• IUPAC Name: 2-[[3-[(3-ethylphenyl)methoxy]phenoxy]methyl]quinoline;2-[[3-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[2-methoxy-5-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline
• SMILES: CCc1cccc(COc2cccc(OCc3ccc4ccccc4n3)c2)c1.COc1cc(-c2nn[nH]n2)ccc1COc1cccc(OCc2ccc3ccccc3n2)c1.COc1ccc(-c2ncn[nH]2)cc1OCc1cccc(OCc2ccc3ccccc3n2)c1
• InChI: InChI=1S/C26H22N4O3.C25H21N5O3.C25H23NO2/c1-31-24-12-10-20(26-27-17-28-30-26)14-25(24)33-15-18-5-4-7-22(13-18)32-16-21-11-9-19-6-2-3-8-23(19)29-21;1-31-24-13-18(25-27-29-30-28-25)9-10-19(24)15-32-21-6-4-7-22(14-21)33-16-20-12-11-17-5-2-3-8-23(17)26-20;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/h2-14,17H,15-16H2,1H3,(H,27,28,30);2-14H,15-16H2,1H3,(H,27,28,29,30);3-16H,2,17-18H2,1H3
• InChIKey: IATQWKXWFZDEKZ-UHFFFAOYSA-N
• XLogP: 15.72
• TPSA: 208.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 23
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1247.43
LogP ≤ 5	15.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

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

The IUPAC name of 2-[[3-[(3-ethylphenyl)methoxy]phenoxy]methyl]quinoline;2-[[3-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[2-methoxy-5-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline (CID 158644264) is 2-[[3-[(3-ethylphenyl)methoxy]phenoxy]methyl]quinoline;2-[[3-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[2-methoxy-5-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline.

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

The canonical SMILES for 2-[[3-[(3-ethylphenyl)methoxy]phenoxy]methyl]quinoline;2-[[3-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[2-methoxy-5-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline is CCc1cccc(COc2cccc(OCc3ccc4ccccc4n3)c2)c1.COc1cc(-c2nn[nH]n2)ccc1COc1cccc(OCc2ccc3ccccc3n2)c1.COc1ccc(-c2ncn[nH]2)cc1OCc1cccc(OCc2ccc3ccccc3n2)c1.

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

The InChIKey is IATQWKXWFZDEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O3.C25H21N5O3.C25H23NO2/c1-31-24-12-10-20(26-27-17-28-30-26)14-25(24)33-15-18-5-4-7-22(13-18)32-16-21-11-9-19-6-2-3-8-23(19)29-21;1-31-24-13-18(25-27-29-30-28-25)9-10-19(24)15-32-21-6-4-7-22(14-21)33-16-20-12-11-17-5-2-3-8-23(17)26-20;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/h2-14,17H,15-16H2,1H3,(H,27,28,30);2-14H,15-16H2,1H3,(H,27,28,29,30);3-16H,2,17-18H2,1H3.

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

2-[[3-[(3-ethylphenyl)methoxy]phenoxy]methyl]quinoline;2-[[3-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[2-methoxy-5-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline has a molecular weight of 1247.43 g/mol, XLogP of 15.72, 23 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-[(3-ethylphenyl)methoxy]phenoxy]methyl]quinoline;2-[[3-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[2-methoxy-5-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline is sourced from PubChem (CID 158644264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).