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

C72H57N15O3 — CID 158658269

IUPAC2-[[3-[[4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[2-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline
SMILESc1cc(Cc2ccc(-c3nn[nH]n3)cc2)cc(OCc2ccc3ccccc3n2)c1.c1cc(Cc2ccc(OCc3ccc4ccccc4n3)cc2)cc(-c2nn[nH]n2)c1.c1ccc(-c2nn[nH]n2)c(Cc2ccc(OCc3ccc4ccccc4n3)cc2)c1
InChIInChI=1S/3C24H19N5O/c1-3-7-22(24-26-28-29-27-24)19(6-1)15-17-9-13-21(14-10-17)30-16-20-12-11-18-5-2-4-8-23(18)25-20;1-2-7-23-19(5-1)10-11-21(25-23)16-30-22-12-8-17(9-13-22)14-18-4-3-6-20(15-18)24-26-28-29-27-24;1-2-7-23-19(5-1)12-13-21(25-23)16-30-22-6-3-4-18(15-22)14-17-8-10-20(11-9-17)24-26-28-29-27-24/h1-14H,15-16H2,(H,26,27,28,29);2*1-13,15H,14,16H2,(H,26,27,28,29)
InChIKeyICKRWBDLKRJROS-UHFFFAOYSA-N
MW1180.35 g/mol
LogP13.75
Rot. Bonds18

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

2-[[3-[[4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[2-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline (PubChem CID 158658269) has the molecular formula C72H57N15O3 and a molecular weight of 1180.35 g/mol. Its IUPAC name is 2-[[3-[[4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[2-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline.

Molecular Properties

Compound Name2-[[3-[[4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[2-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline
PubChem CID158658269
Molecular FormulaC72H57N15O3
Molecular Weight1180.35 g/mol
Exact Mass1179.48
IUPAC Name2-[[3-[[4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[2-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline
SMILESc1cc(Cc2ccc(-c3nn[nH]n3)cc2)cc(OCc2ccc3ccccc3n2)c1.c1cc(Cc2ccc(OCc3ccc4ccccc4n3)cc2)cc(-c2nn[nH]n2)c1.c1ccc(-c2nn[nH]n2)c(Cc2ccc(OCc3ccc4ccccc4n3)cc2)c1
InChIInChI=1S/3C24H19N5O/c1-3-7-22(24-26-28-29-27-24)19(6-1)15-17-9-13-21(14-10-17)30-16-20-12-11-18-5-2-4-8-23(18)25-20;1-2-7-23-19(5-1)10-11-21(25-23)16-30-22-12-8-17(9-13-22)14-18-4-3-6-20(15-18)24-26-28-29-27-24;1-2-7-23-19(5-1)12-13-21(25-23)16-30-22-6-3-4-18(15-22)14-17-8-10-20(11-9-17)24-26-28-29-27-24/h1-14H,15-16H2,(H,26,27,28,29);2*1-13,15H,14,16H2,(H,26,27,28,29)
InChIKeyICKRWBDLKRJROS-UHFFFAOYSA-N
XLogP13.75
TPSA229.74 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001180.35
LogP ≤ 513.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

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

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Related Compounds

Ici D8731
CID 132562
2-((4-((2-(2H-Tetrazol-5-ylmethyl)phenyl)methoxy)phenoxy)methyl)quinoline
CID 129044
Diaplasinin
CID 6450820
2-[[4-[2-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline
CID 9842487
2-Methyl-4-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethoxy]-quinoline
CID 9886863
2-{3-[3-(1H-Tetrazol-5-yl)-phenoxymethyl]-phenoxymethyl}-quinoline
CID 9909426
2-{4-[3-(1H-Tetrazol-5-ylmethyl)-benzyloxy]-phenoxymethyl}-quinoline
CID 9932067
2-[4-(1H-Tetrazol-5-ylmethyl)-phenoxymethyl]-quinoline
CID 9948863
2,8-dimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline
CID 9980879
2-ethyl-8-methoxy-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline
CID 10005096
2-ethyl-6-methoxy-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline
CID 10027836
2-{4-[3-(1H-Tetrazol-5-ylmethoxy)-benzyloxy]-phenoxymethyl}-quinoline
CID 10114090

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[2-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline?
The IUPAC name of 2-[[3-[[4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[2-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline (CID 158658269) is 2-[[3-[[4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[2-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline.
What is the SMILES notation for 2-[[3-[[4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[2-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline?
The canonical SMILES for 2-[[3-[[4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[2-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline is c1cc(Cc2ccc(-c3nn[nH]n3)cc2)cc(OCc2ccc3ccccc3n2)c1.c1cc(Cc2ccc(OCc3ccc4ccccc4n3)cc2)cc(-c2nn[nH]n2)c1.c1ccc(-c2nn[nH]n2)c(Cc2ccc(OCc3ccc4ccccc4n3)cc2)c1.
What is the InChIKey of 2-[[3-[[4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[2-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline?
The InChIKey is ICKRWBDLKRJROS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C24H19N5O/c1-3-7-22(24-26-28-29-27-24)19(6-1)15-17-9-13-21(14-10-17)30-16-20-12-11-18-5-2-4-8-23(18)25-20;1-2-7-23-19(5-1)10-11-21(25-23)16-30-22-12-8-17(9-13-22)14-18-4-3-6-20(15-18)24-26-28-29-27-24;1-2-7-23-19(5-1)12-13-21(25-23)16-30-22-6-3-4-18(15-22)14-17-8-10-20(11-9-17)24-26-28-29-27-24/h1-14H,15-16H2,(H,26,27,28,29);2*1-13,15H,14,16H2,(H,26,27,28,29).
What are the key properties of 2-[[3-[[4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[2-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline?
2-[[3-[[4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[2-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline has a molecular weight of 1180.35 g/mol, XLogP of 13.75, 18 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[2-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline is sourced from PubChem (CID 158658269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).