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

C75H63N15O6 — CID 88521936

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

2-[[3-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline (PubChem CID 88521936) has the molecular formula C75H63N15O6 and a molecular weight of 1270.43 g/mol. Its IUPAC name is 2-[[3-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline.

Molecular Properties

• Compound Name: 2-[[3-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline
• PubChem CID: 88521936
• Molecular Formula: C75H63N15O6
• Molecular Weight: 1270.43 g/mol
• Exact Mass: 1269.51
• IUPAC Name: 2-[[3-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline
• SMILES: COc1cc(-c2nn[nH]n2)ccc1Cc1ccc(OCc2ccc3ccccc3n2)cc1.COc1cc(-c2nn[nH]n2)ccc1Cc1cccc(OCc2ccc3ccccc3n2)c1.COc1ccc(-c2nn[nH]n2)cc1Cc1ccc(OCc2ccc3ccccc3n2)cc1
• InChI: InChI=1S/3C25H21N5O2/c1-31-24-15-20(25-27-29-30-28-25)10-9-19(24)13-17-5-4-7-22(14-17)32-16-21-12-11-18-6-2-3-8-23(18)26-21;1-31-24-13-9-19(25-27-29-30-28-25)15-20(24)14-17-6-11-22(12-7-17)32-16-21-10-8-18-4-2-3-5-23(18)26-21;1-31-24-15-20(25-27-29-30-28-25)9-8-19(24)14-17-6-12-22(13-7-17)32-16-21-11-10-18-4-2-3-5-23(18)26-21/h2-12,14-15H,13,16H2,1H3,(H,27,28,29,30);2*2-13,15H,14,16H2,1H3,(H,27,28,29,30)
• InChIKey: VBVJGKZEZGCUBU-UHFFFAOYSA-N
• XLogP: 13.78
• TPSA: 257.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 21
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1270.43
LogP ≤ 5	13.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

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

The IUPAC name of 2-[[3-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline (CID 88521936) is 2-[[3-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline.

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

The canonical SMILES for 2-[[3-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline is COc1cc(-c2nn[nH]n2)ccc1Cc1ccc(OCc2ccc3ccccc3n2)cc1.COc1cc(-c2nn[nH]n2)ccc1Cc1cccc(OCc2ccc3ccccc3n2)c1.COc1ccc(-c2nn[nH]n2)cc1Cc1ccc(OCc2ccc3ccccc3n2)cc1.

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

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

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

2-[[3-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline has a molecular weight of 1270.43 g/mol, XLogP of 13.78, 21 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline is sourced from PubChem (CID 88521936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).