2-[[3-[[3-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline

C75H63N15O7 — CID 158150951

About 2-[[3-[[3-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline

2-[[3-[[3-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline (PubChem CID 158150951) has the molecular formula C75H63N15O7 and a molecular weight of 1286.43 g/mol. Its IUPAC name is 2-[[3-[[3-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline.

Molecular Properties

• Compound Name: 2-[[3-[[3-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline
• PubChem CID: 158150951
• Molecular Formula: C75H63N15O7
• Molecular Weight: 1286.43 g/mol
• Exact Mass: 1285.50
• IUPAC Name: 2-[[3-[[3-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline
• SMILES: c1cc(COc2cccc(OCc3ccc4ccccc4n3)c2)cc(Cc2nn[nH]n2)c1.c1cc(OCc2ccc(Cc3nn[nH]n3)cc2)cc(OCc2ccc3ccccc3n2)c1.c1cc(OCc2cccc(OCc3nn[nH]n3)c2)cc(OCc2ccc3ccccc3n2)c1
• InChI: InChI=1S/C25H21N5O3.2C25H21N5O2/c1-2-10-24-19(6-1)11-12-20(26-24)16-32-23-9-4-8-22(14-23)31-15-18-5-3-7-21(13-18)33-17-25-27-29-30-28-25;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;1-2-7-24-20(4-1)12-13-21(26-24)17-32-23-6-3-5-22(15-23)31-16-19-10-8-18(9-11-19)14-25-27-29-30-28-25/h1-14H,15-17H2,(H,27,28,29,30);2*1-13,15H,14,16-17H2,(H,27,28,29,30)
• InChIKey: FVCHIKUXQBJRFZ-UHFFFAOYSA-N
• XLogP: 13.48
• TPSA: 266.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 25
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1286.43
LogP ≤ 5	13.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[3-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline?

The IUPAC name of 2-[[3-[[3-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline (CID 158150951) is 2-[[3-[[3-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline.

What is the SMILES notation for 2-[[3-[[3-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline?

The canonical SMILES for 2-[[3-[[3-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline is c1cc(COc2cccc(OCc3ccc4ccccc4n3)c2)cc(Cc2nn[nH]n2)c1.c1cc(OCc2ccc(Cc3nn[nH]n3)cc2)cc(OCc2ccc3ccccc3n2)c1.c1cc(OCc2cccc(OCc3nn[nH]n3)c2)cc(OCc2ccc3ccccc3n2)c1.

What is the InChIKey of 2-[[3-[[3-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline?

The InChIKey is FVCHIKUXQBJRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O3.2C25H21N5O2/c1-2-10-24-19(6-1)11-12-20(26-24)16-32-23-9-4-8-22(14-23)31-15-18-5-3-7-21(13-18)33-17-25-27-29-30-28-25;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;1-2-7-24-20(4-1)12-13-21(26-24)17-32-23-6-3-5-22(15-23)31-16-19-10-8-18(9-11-19)14-25-27-29-30-28-25/h1-14H,15-17H2,(H,27,28,29,30);2*1-13,15H,14,16-17H2,(H,27,28,29,30).

What are the key properties of 2-[[3-[[3-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline?

2-[[3-[[3-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline has a molecular weight of 1286.43 g/mol, XLogP of 13.48, 25 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-[[3-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[3-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline is sourced from PubChem (CID 158150951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).