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

C101H92N20O10 — CID 158939848

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

methane;2-[[3-[[3-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[4-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[2-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline (PubChem CID 158939848) has the molecular formula C101H92N20O10 and a molecular weight of 1745.98 g/mol. Its IUPAC name is methane;2-[[3-[[3-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[4-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[2-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline.

Molecular Properties

• Compound Name: methane;2-[[3-[[3-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[4-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[2-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline
• PubChem CID: 158939848
• Molecular Formula: C101H92N20O10
• Molecular Weight: 1745.98 g/mol
• Exact Mass: 1744.73
• IUPAC Name: methane;2-[[3-[[3-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[4-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[2-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline
• SMILES: C.C.C.c1cc(OCc2ccc(OCc3nn[nH]n3)cc2)cc(OCc2ccc3ccccc3n2)c1.c1cc(OCc2ccc3ccccc3n2)cc(OCc2ccccc2-c2nn[nH]n2)c1.c1cc(OCc2cccc(OCc3nn[nH]n3)c2)cc(OCc2ccc3ccccc3n2)c1.c1ccc2nc(COc3ccc(COc4ccc(-c5nn[nH]n5)cc4)cc3)ccc2c1
• InChI: InChI=1S/2C25H21N5O3.2C24H19N5O2.3CH4/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;1-2-7-24-19(4-1)10-11-20(26-24)16-32-23-6-3-5-22(14-23)31-15-18-8-12-21(13-9-18)33-17-25-27-29-30-28-25;1-3-10-22(24-26-28-29-27-24)18(7-1)15-30-20-8-5-9-21(14-20)31-16-19-13-12-17-6-2-4-11-23(17)25-19;1-2-4-23-18(3-1)7-10-20(25-23)16-31-21-11-5-17(6-12-21)15-30-22-13-8-19(9-14-22)24-26-28-29-27-24;;;/h2*1-14H,15-17H2,(H,27,28,29,30);2*1-14H,15-16H2,(H,26,27,28,29);3*1H4
• InChIKey: JKCOJGNHJQRHAG-UHFFFAOYSA-N
• XLogP: 20.02
• TPSA: 361.70 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 32
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1745.98
LogP ≤ 5	20.02
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

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

The IUPAC name of methane;2-[[3-[[3-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[4-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[2-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline (CID 158939848) is methane;2-[[3-[[3-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[4-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[2-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline.

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

The canonical SMILES for methane;2-[[3-[[3-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[4-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[2-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline is C.C.C.c1cc(OCc2ccc(OCc3nn[nH]n3)cc2)cc(OCc2ccc3ccccc3n2)c1.c1cc(OCc2ccc3ccccc3n2)cc(OCc2ccccc2-c2nn[nH]n2)c1.c1cc(OCc2cccc(OCc3nn[nH]n3)c2)cc(OCc2ccc3ccccc3n2)c1.c1ccc2nc(COc3ccc(COc4ccc(-c5nn[nH]n5)cc4)cc3)ccc2c1.

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

The InChIKey is JKCOJGNHJQRHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H21N5O3.2C24H19N5O2.3CH4/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;1-2-7-24-19(4-1)10-11-20(26-24)16-32-23-6-3-5-22(14-23)31-15-18-8-12-21(13-9-18)33-17-25-27-29-30-28-25;1-3-10-22(24-26-28-29-27-24)18(7-1)15-30-20-8-5-9-21(14-20)31-16-19-13-12-17-6-2-4-11-23(17)25-19;1-2-4-23-18(3-1)7-10-20(25-23)16-31-21-11-5-17(6-12-21)15-30-22-13-8-19(9-14-22)24-26-28-29-27-24;;;/h2*1-14H,15-17H2,(H,27,28,29,30);2*1-14H,15-16H2,(H,26,27,28,29);3*1H4.

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

methane;2-[[3-[[3-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[4-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[2-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline has a molecular weight of 1745.98 g/mol, XLogP of 20.02, 32 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for methane;2-[[3-[[3-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[4-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[2-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline is sourced from PubChem (CID 158939848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).