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

C139H133N25O8S2 — CID 173395556

IUPAC2-[[3-[[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenoxy]methyl]phenyl]sulfanylmethyl]quinoline;2-[[3-[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenoxy]phenoxy]methyl]quinoline;2-[[3-[[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenyl]sulfanylmethyl]phenoxy]methyl]quinoline;2-[[3-[[3-[4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]phenoxy]methyl]quinoline
SMILESCC(CCc1nn[nH]n1)c1cccc(OCc2cccc(OCc3ccc4ccccc4n3)c2)c1.CC(CCc1nn[nH]n1)c1cccc(OCc2cccc(SCc3ccc4ccccc4n3)c2)c1.CC(CCc1nn[nH]n1)c1cccc(Oc2cccc(OCc3ccc4ccccc4n3)c2)c1.CC(CCc1nn[nH]n1)c1cccc(SCc2cccc(OCc3ccc4ccccc4n3)c2)c1.c1cc(CCCCc2nn[nH]n2)cc(OCc2cccc(OCc3ccc4ccccc4n3)c2)c1
InChIInChI=1S/2C28H27N5O2.2C28H27N5OS.C27H25N5O2/c1-20(12-15-28-30-32-33-31-28)23-8-5-10-26(17-23)34-18-21-6-4-9-25(16-21)35-19-24-14-13-22-7-2-3-11-27(22)29-24;1(4-14-28-30-32-33-31-28)7-21-8-5-11-25(17-21)34-19-22-9-6-12-26(18-22)35-20-24-16-15-23-10-2-3-13-27(23)29-24;1-20(12-15-28-30-32-33-31-28)23-8-5-9-25(17-23)34-18-21-6-4-10-26(16-21)35-19-24-14-13-22-7-2-3-11-27(22)29-24;1-20(12-15-28-30-32-33-31-28)23-8-5-10-26(17-23)35-19-21-6-4-9-25(16-21)34-18-24-14-13-22-7-2-3-11-27(22)29-24;1-19(12-15-27-29-31-32-30-27)21-7-4-9-24(16-21)34-25-10-5-8-23(17-25)33-18-22-14-13-20-6-2-3-11-26(20)28-22/h2-11,13-14,16-17,20H,12,15,18-19H2,1H3,(H,30,31,32,33);2-3,5-6,8-13,15-18H,1,4,7,14,19-20H2,(H,30,31,32,33);2*2-11,13-14,16-17,20H,12,15,18-19H2,1H3,(H,30,31,32,33);2-11,13-14,16-17,19H,12,15,18H2,1H3,(H,29,30,31,32)
InChIKeyOUUYJLZSENKTBK-UHFFFAOYSA-N
MW2345.89 g/mol
LogP29.68
Rot. Bonds50

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

2-[[3-[[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenoxy]methyl]phenyl]sulfanylmethyl]quinoline;2-[[3-[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenoxy]phenoxy]methyl]quinoline;2-[[3-[[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenyl]sulfanylmethyl]phenoxy]methyl]quinoline;2-[[3-[[3-[4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]phenoxy]methyl]quinoline (PubChem CID 173395556) has the molecular formula C139H133N25O8S2 and a molecular weight of 2345.89 g/mol. Its IUPAC name is 2-[[3-[[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenoxy]methyl]phenyl]sulfanylmethyl]quinoline;2-[[3-[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenoxy]phenoxy]methyl]quinoline;2-[[3-[[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenyl]sulfanylmethyl]phenoxy]methyl]quinoline;2-[[3-[[3-[4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]phenoxy]methyl]quinoline.

Molecular Properties

Compound Name2-[[3-[[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenoxy]methyl]phenyl]sulfanylmethyl]quinoline;2-[[3-[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenoxy]phenoxy]methyl]quinoline;2-[[3-[[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenyl]sulfanylmethyl]phenoxy]methyl]quinoline;2-[[3-[[3-[4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]phenoxy]methyl]quinoline
PubChem CID173395556
Molecular FormulaC139H133N25O8S2
Molecular Weight2345.89 g/mol
Exact Mass2344.02
IUPAC Name2-[[3-[[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenoxy]methyl]phenyl]sulfanylmethyl]quinoline;2-[[3-[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenoxy]phenoxy]methyl]quinoline;2-[[3-[[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenyl]sulfanylmethyl]phenoxy]methyl]quinoline;2-[[3-[[3-[4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]phenoxy]methyl]quinoline
SMILESCC(CCc1nn[nH]n1)c1cccc(OCc2cccc(OCc3ccc4ccccc4n3)c2)c1.CC(CCc1nn[nH]n1)c1cccc(OCc2cccc(SCc3ccc4ccccc4n3)c2)c1.CC(CCc1nn[nH]n1)c1cccc(Oc2cccc(OCc3ccc4ccccc4n3)c2)c1.CC(CCc1nn[nH]n1)c1cccc(SCc2cccc(OCc3ccc4ccccc4n3)c2)c1.c1cc(CCCCc2nn[nH]n2)cc(OCc2cccc(OCc3ccc4ccccc4n3)c2)c1
InChIInChI=1S/2C28H27N5O2.2C28H27N5OS.C27H25N5O2/c1-20(12-15-28-30-32-33-31-28)23-8-5-10-26(17-23)34-18-21-6-4-9-25(16-21)35-19-24-14-13-22-7-2-3-11-27(22)29-24;1(4-14-28-30-32-33-31-28)7-21-8-5-11-25(17-21)34-19-22-9-6-12-26(18-22)35-20-24-16-15-23-10-2-3-13-27(23)29-24;1-20(12-15-28-30-32-33-31-28)23-8-5-9-25(17-23)34-18-21-6-4-10-26(16-21)35-19-24-14-13-22-7-2-3-11-27(22)29-24;1-20(12-15-28-30-32-33-31-28)23-8-5-10-26(17-23)35-19-21-6-4-9-25(16-21)34-18-24-14-13-22-7-2-3-11-27(22)29-24;1-19(12-15-27-29-31-32-30-27)21-7-4-9-24(16-21)34-25-10-5-8-23(17-25)33-18-22-14-13-20-6-2-3-11-26(20)28-22/h2-11,13-14,16-17,20H,12,15,18-19H2,1H3,(H,30,31,32,33);2-3,5-6,8-13,15-18H,1,4,7,14,19-20H2,(H,30,31,32,33);2*2-11,13-14,16-17,20H,12,15,18-19H2,1H3,(H,30,31,32,33);2-11,13-14,16-17,19H,12,15,18H2,1H3,(H,29,30,31,32)
InChIKeyOUUYJLZSENKTBK-UHFFFAOYSA-N
XLogP29.68
TPSA410.59 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds50
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002345.89
LogP ≤ 529.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[[3-[[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenoxy]methyl]phenyl]sulfanylmethyl]quinoline;2-[[3-[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenoxy]phenoxy]methyl]quinoline;2-[[3-[[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenyl]sulfanylmethyl]phenoxy]methyl]quinoline;2-[[3-[[3-[4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]phenoxy]methyl]quinoline with MolForge

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Related Compounds

2-[[4-[[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenyl]methyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]ethyl]phenyl]sulfanylmethyl]quinoline;2-[[3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]phenyl]sulfanylmethyl]quinoline
CID 160921539
2-[[3-[1-phenyl-5-(2H-tetrazol-5-yl)pentan-2-yl]phenoxy]methyl]quinoline
CID 14750528
2-[[3-[3-[3-[3-(2H-tetrazol-5-yl)propoxy]phenyl]propyl]phenoxy]methyl]quinoline
CID 19856226
2-[[3-[2-benzyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline
CID 14750527
2-[[3-(2H-tetrazol-5-ylmethoxy)phenoxy]methyl]quinoline
CID 14650343
2-[[3-[4-(2H-tetrazol-5-yl)heptyl]phenoxy]methyl]quinoline
CID 14750519
2-[[4-[1-phenyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline
CID 14750546
2-[(3-hexylphenoxy)methyl]quinoline
CID 14349142
2-[[3-[[2-(2H-tetrazol-5-ylmethoxy)phenyl]methyl]phenoxy]methyl]quinoline
CID 14995154
2-[[3-methyl-4-[[3-methyl-4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline
CID 19856213
2-[[2-methyl-4-[[3-methyl-4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline
CID 22616039
2-[[4-[4-(2H-tetrazol-5-yl)pentyl]phenoxy]methyl]quinoline
CID 14750540

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenoxy]methyl]phenyl]sulfanylmethyl]quinoline;2-[[3-[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenoxy]phenoxy]methyl]quinoline;2-[[3-[[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenyl]sulfanylmethyl]phenoxy]methyl]quinoline;2-[[3-[[3-[4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]phenoxy]methyl]quinoline?
The IUPAC name of 2-[[3-[[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenoxy]methyl]phenyl]sulfanylmethyl]quinoline;2-[[3-[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenoxy]phenoxy]methyl]quinoline;2-[[3-[[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenyl]sulfanylmethyl]phenoxy]methyl]quinoline;2-[[3-[[3-[4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]phenoxy]methyl]quinoline (CID 173395556) is 2-[[3-[[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenoxy]methyl]phenyl]sulfanylmethyl]quinoline;2-[[3-[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenoxy]phenoxy]methyl]quinoline;2-[[3-[[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenyl]sulfanylmethyl]phenoxy]methyl]quinoline;2-[[3-[[3-[4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]phenoxy]methyl]quinoline.
What is the SMILES notation for 2-[[3-[[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenoxy]methyl]phenyl]sulfanylmethyl]quinoline;2-[[3-[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenoxy]phenoxy]methyl]quinoline;2-[[3-[[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenyl]sulfanylmethyl]phenoxy]methyl]quinoline;2-[[3-[[3-[4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]phenoxy]methyl]quinoline?
The canonical SMILES for 2-[[3-[[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenoxy]methyl]phenyl]sulfanylmethyl]quinoline;2-[[3-[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenoxy]phenoxy]methyl]quinoline;2-[[3-[[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenyl]sulfanylmethyl]phenoxy]methyl]quinoline;2-[[3-[[3-[4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]phenoxy]methyl]quinoline is CC(CCc1nn[nH]n1)c1cccc(OCc2cccc(OCc3ccc4ccccc4n3)c2)c1.CC(CCc1nn[nH]n1)c1cccc(OCc2cccc(SCc3ccc4ccccc4n3)c2)c1.CC(CCc1nn[nH]n1)c1cccc(Oc2cccc(OCc3ccc4ccccc4n3)c2)c1.CC(CCc1nn[nH]n1)c1cccc(SCc2cccc(OCc3ccc4ccccc4n3)c2)c1.c1cc(CCCCc2nn[nH]n2)cc(OCc2cccc(OCc3ccc4ccccc4n3)c2)c1.
What is the InChIKey of 2-[[3-[[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenoxy]methyl]phenyl]sulfanylmethyl]quinoline;2-[[3-[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenoxy]phenoxy]methyl]quinoline;2-[[3-[[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenyl]sulfanylmethyl]phenoxy]methyl]quinoline;2-[[3-[[3-[4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]phenoxy]methyl]quinoline?
The InChIKey is OUUYJLZSENKTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H27N5O2.2C28H27N5OS.C27H25N5O2/c1-20(12-15-28-30-32-33-31-28)23-8-5-10-26(17-23)34-18-21-6-4-9-25(16-21)35-19-24-14-13-22-7-2-3-11-27(22)29-24;1(4-14-28-30-32-33-31-28)7-21-8-5-11-25(17-21)34-19-22-9-6-12-26(18-22)35-20-24-16-15-23-10-2-3-13-27(23)29-24;1-20(12-15-28-30-32-33-31-28)23-8-5-9-25(17-23)34-18-21-6-4-10-26(16-21)35-19-24-14-13-22-7-2-3-11-27(22)29-24;1-20(12-15-28-30-32-33-31-28)23-8-5-10-26(17-23)35-19-21-6-4-9-25(16-21)34-18-24-14-13-22-7-2-3-11-27(22)29-24;1-19(12-15-27-29-31-32-30-27)21-7-4-9-24(16-21)34-25-10-5-8-23(17-25)33-18-22-14-13-20-6-2-3-11-26(20)28-22/h2-11,13-14,16-17,20H,12,15,18-19H2,1H3,(H,30,31,32,33);2-3,5-6,8-13,15-18H,1,4,7,14,19-20H2,(H,30,31,32,33);2*2-11,13-14,16-17,20H,12,15,18-19H2,1H3,(H,30,31,32,33);2-11,13-14,16-17,19H,12,15,18H2,1H3,(H,29,30,31,32).
What are the key properties of 2-[[3-[[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenoxy]methyl]phenyl]sulfanylmethyl]quinoline;2-[[3-[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenoxy]phenoxy]methyl]quinoline;2-[[3-[[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenyl]sulfanylmethyl]phenoxy]methyl]quinoline;2-[[3-[[3-[4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]phenoxy]methyl]quinoline?
2-[[3-[[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenoxy]methyl]phenyl]sulfanylmethyl]quinoline;2-[[3-[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenoxy]phenoxy]methyl]quinoline;2-[[3-[[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenyl]sulfanylmethyl]phenoxy]methyl]quinoline;2-[[3-[[3-[4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]phenoxy]methyl]quinoline has a molecular weight of 2345.89 g/mol, XLogP of 29.68, 50 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenoxy]methyl]phenyl]sulfanylmethyl]quinoline;2-[[3-[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenoxy]phenoxy]methyl]quinoline;2-[[3-[[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenyl]sulfanylmethyl]phenoxy]methyl]quinoline;2-[[3-[[3-[4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]phenoxy]methyl]quinoline is sourced from PubChem (CID 173395556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).