2-[[4-[[3-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]phenoxy]methyl]quinoline

C26H23N5O2 — CID 19856224

IUPAC2-[[4-[[3-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]phenoxy]methyl]quinoline
SMILESCC(Oc1cccc(Cc2ccc(OCc3ccc4ccccc4n3)cc2)c1)c1nn[nH]n1
InChIInChI=1S/C26H23N5O2/c1-18(26-28-30-31-29-26)33-24-7-4-5-20(16-24)15-19-9-13-23(14-10-19)32-17-22-12-11-21-6-2-3-8-25(21)27-22/h2-14,16,18H,15,17H2,1H3,(H,28,29,30,31)
InChIKeyWXGOKEWXUUZGLF-UHFFFAOYSA-N
MW437.50 g/mol
LogP5.06
Rot. Bonds8

About 2-[[4-[[3-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]phenoxy]methyl]quinoline

2-[[4-[[3-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]phenoxy]methyl]quinoline (PubChem CID 19856224) has the molecular formula C26H23N5O2 and a molecular weight of 437.50 g/mol. Its IUPAC name is 2-[[4-[[3-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]phenoxy]methyl]quinoline.

Molecular Properties

Compound Name2-[[4-[[3-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]phenoxy]methyl]quinoline
PubChem CID19856224
Molecular FormulaC26H23N5O2
Molecular Weight437.50 g/mol
Exact Mass437.19
IUPAC Name2-[[4-[[3-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]phenoxy]methyl]quinoline
SMILESCC(Oc1cccc(Cc2ccc(OCc3ccc4ccccc4n3)cc2)c1)c1nn[nH]n1
InChIInChI=1S/C26H23N5O2/c1-18(26-28-30-31-29-26)33-24-7-4-5-20(16-24)15-19-9-13-23(14-10-19)32-17-22-12-11-21-6-2-3-8-25(21)27-22/h2-14,16,18H,15,17H2,1H3,(H,28,29,30,31)
InChIKeyWXGOKEWXUUZGLF-UHFFFAOYSA-N
XLogP5.06
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.50
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[4-[[3-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]phenoxy]methyl]quinoline with MolForge

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Related Compounds

2-[[4-[4-(2H-tetrazol-5-yl)pentyl]phenoxy]methyl]quinoline
CID 14750540
2-[[3-[4-(2H-tetrazol-5-yl)heptyl]phenoxy]methyl]quinoline
CID 14750519
2-[[4-[[4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline
CID 10293984
2-[[4-[2-[4-(2H-tetrazol-5-ylmethyl)phenyl]propyl]phenoxy]methyl]quinoline
CID 14995138
2-[[3-[[2-(2H-tetrazol-5-ylmethoxy)phenyl]methyl]phenoxy]methyl]quinoline
CID 14995154
methanesulfonic acid;[3-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]phenyl]methanol
CID 86743875
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-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline
CID 14995097
acetamide;3-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]benzoic acid
CID 22616056
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-[[4-[1-[4-(2H-tetrazol-5-yl)phenyl]propan-2-yl]phenoxy]methyl]quinoline
CID 14995132

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[3-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]phenoxy]methyl]quinoline?
The IUPAC name of 2-[[4-[[3-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]phenoxy]methyl]quinoline (CID 19856224) is 2-[[4-[[3-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]phenoxy]methyl]quinoline.
What is the SMILES notation for 2-[[4-[[3-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]phenoxy]methyl]quinoline?
The canonical SMILES for 2-[[4-[[3-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]phenoxy]methyl]quinoline is CC(Oc1cccc(Cc2ccc(OCc3ccc4ccccc4n3)cc2)c1)c1nn[nH]n1.
What is the InChIKey of 2-[[4-[[3-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]phenoxy]methyl]quinoline?
The InChIKey is WXGOKEWXUUZGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2/c1-18(26-28-30-31-29-26)33-24-7-4-5-20(16-24)15-19-9-13-23(14-10-19)32-17-22-12-11-21-6-2-3-8-25(21)27-22/h2-14,16,18H,15,17H2,1H3,(H,28,29,30,31).
What are the key properties of 2-[[4-[[3-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]phenoxy]methyl]quinoline?
2-[[4-[[3-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]phenoxy]methyl]quinoline has a molecular weight of 437.50 g/mol, XLogP of 5.06, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[3-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]phenoxy]methyl]quinoline is sourced from PubChem (CID 19856224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).