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

C75H61N13O7 — CID 158621229

IUPAC2-[[3-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[4-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[4-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline
SMILESc1cc(OCc2ccc(-c3nn[nH]n3)cc2)cc(OCc2ccc3ccccc3n2)c1.c1cc(OCc2ccc(OCc3ncn[nH]3)cc2)cc(OCc2ccc3ccccc3n2)c1.c1ccc2nc(COc3ccc(COc4ccc(-c5ncn[nH]5)cc4)cc3)ccc2c1
InChIInChI=1S/C26H22N4O3.C25H20N4O2.C24H19N5O2/c1-2-7-25-20(4-1)10-11-21(29-25)16-32-24-6-3-5-23(14-24)31-15-19-8-12-22(13-9-19)33-17-26-27-18-28-30-26;1-2-4-24-19(3-1)7-10-21(28-24)16-31-22-11-5-18(6-12-22)15-30-23-13-8-20(9-14-23)25-26-17-27-29-25;1-2-7-23-18(4-1)12-13-20(25-23)16-31-22-6-3-5-21(14-22)30-15-17-8-10-19(11-9-17)24-26-28-29-27-24/h1-14,18H,15-17H2,(H,27,28,30);1-14,17H,15-16H2,(H,26,27,29);1-14H,15-16H2,(H,26,27,28,29)
InChIKeyHYAFEGCQTYMALW-UHFFFAOYSA-N
MW1256.40 g/mol
LogP14.84
Rot. Bonds23

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

2-[[3-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[4-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[4-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline (PubChem CID 158621229) has the molecular formula C75H61N13O7 and a molecular weight of 1256.40 g/mol. Its IUPAC name is 2-[[3-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[4-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[4-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline.

Molecular Properties

Compound Name2-[[3-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[4-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[4-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline
PubChem CID158621229
Molecular FormulaC75H61N13O7
Molecular Weight1256.40 g/mol
Exact Mass1255.48
IUPAC Name2-[[3-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[4-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[4-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline
SMILESc1cc(OCc2ccc(-c3nn[nH]n3)cc2)cc(OCc2ccc3ccccc3n2)c1.c1cc(OCc2ccc(OCc3ncn[nH]3)cc2)cc(OCc2ccc3ccccc3n2)c1.c1ccc2nc(COc3ccc(COc4ccc(-c5ncn[nH]5)cc4)cc3)ccc2c1
InChIInChI=1S/C26H22N4O3.C25H20N4O2.C24H19N5O2/c1-2-7-25-20(4-1)10-11-21(29-25)16-32-24-6-3-5-23(14-24)31-15-19-8-12-22(13-9-19)33-17-26-27-18-28-30-26;1-2-4-24-19(3-1)7-10-21(28-24)16-31-22-11-5-18(6-12-22)15-30-23-13-8-20(9-14-23)25-26-17-27-29-25;1-2-7-23-18(4-1)12-13-20(25-23)16-31-22-6-3-5-21(14-22)30-15-17-8-10-19(11-9-17)24-26-28-29-27-24/h1-14,18H,15-17H2,(H,27,28,30);1-14,17H,15-16H2,(H,26,27,29);1-14H,15-16H2,(H,26,27,28,29)
InChIKeyHYAFEGCQTYMALW-UHFFFAOYSA-N
XLogP14.84
TPSA240.88 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds23
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001256.40
LogP ≤ 514.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

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

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Related Compounds

2-[[3-[[2-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline
CID 18727383
2-[[3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline
CID 18727389
2-[[3-[[4-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline
CID 18727391
2-[[4-[(E)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline
CID 18727392
2-[[4-[(E)-2-[4-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline
CID 18727393
2-[[4-[[2-methoxy-4-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline
CID 18727397
2-[[4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline
CID 18727399
2-[[4-[[4-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline
CID 18727401
2-[[4-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline
CID 18727402
2-[[3-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]quinoline
CID 20597845
2-[[3-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline
CID 21014270
2-[[4-[[2-methoxy-5-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline
CID 21014280

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[4-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[4-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline?
The IUPAC name of 2-[[3-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[4-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[4-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline (CID 158621229) is 2-[[3-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[4-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[4-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline.
What is the SMILES notation for 2-[[3-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[4-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[4-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline?
The canonical SMILES for 2-[[3-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[4-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[4-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline is c1cc(OCc2ccc(-c3nn[nH]n3)cc2)cc(OCc2ccc3ccccc3n2)c1.c1cc(OCc2ccc(OCc3ncn[nH]3)cc2)cc(OCc2ccc3ccccc3n2)c1.c1ccc2nc(COc3ccc(COc4ccc(-c5ncn[nH]5)cc4)cc3)ccc2c1.
What is the InChIKey of 2-[[3-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[4-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[4-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline?
The InChIKey is HYAFEGCQTYMALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O3.C25H20N4O2.C24H19N5O2/c1-2-7-25-20(4-1)10-11-21(29-25)16-32-24-6-3-5-23(14-24)31-15-19-8-12-22(13-9-19)33-17-26-27-18-28-30-26;1-2-4-24-19(3-1)7-10-21(28-24)16-31-22-11-5-18(6-12-22)15-30-23-13-8-20(9-14-23)25-26-17-27-29-25;1-2-7-23-18(4-1)12-13-20(25-23)16-31-22-6-3-5-21(14-22)30-15-17-8-10-19(11-9-17)24-26-28-29-27-24/h1-14,18H,15-17H2,(H,27,28,30);1-14,17H,15-16H2,(H,26,27,29);1-14H,15-16H2,(H,26,27,28,29).
What are the key properties of 2-[[3-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[4-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[4-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline?
2-[[3-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[4-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[4-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline has a molecular weight of 1256.40 g/mol, XLogP of 14.84, 23 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[4-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[4-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline is sourced from PubChem (CID 158621229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).