2-[[3-(2H-tetrazol-5-ylmethoxy)phenoxy]methyl]quinoline

C18H15N5O2 — CID 14650343

IUPAC2-[[3-(2H-tetrazol-5-ylmethoxy)phenoxy]methyl]quinoline
SMILESc1cc(OCc2ccc3ccccc3n2)cc(OCc2nn[nH]n2)c1
InChIInChI=1S/C18H15N5O2/c1-2-7-17-13(4-1)8-9-14(19-17)11-24-15-5-3-6-16(10-15)25-12-18-20-22-23-21-18/h1-10H,11-12H2,(H,20,21,22,23)
InChIKeyFOTHBOISNKWERK-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.91
Rot. Bonds6

About 2-[[3-(2H-tetrazol-5-ylmethoxy)phenoxy]methyl]quinoline

2-[[3-(2H-tetrazol-5-ylmethoxy)phenoxy]methyl]quinoline (PubChem CID 14650343) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 2-[[3-(2H-tetrazol-5-ylmethoxy)phenoxy]methyl]quinoline.

Molecular Properties

Compound Name2-[[3-(2H-tetrazol-5-ylmethoxy)phenoxy]methyl]quinoline
PubChem CID14650343
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC Name2-[[3-(2H-tetrazol-5-ylmethoxy)phenoxy]methyl]quinoline
SMILESc1cc(OCc2ccc3ccccc3n2)cc(OCc2nn[nH]n2)c1
InChIInChI=1S/C18H15N5O2/c1-2-7-17-13(4-1)8-9-14(19-17)11-24-15-5-3-6-16(10-15)25-12-18-20-22-23-21-18/h1-10H,11-12H2,(H,20,21,22,23)
InChIKeyFOTHBOISNKWERK-UHFFFAOYSA-N
XLogP2.91
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[3-[(E)-2-[4-(2H-tetrazol-5-ylmethoxy)phenyl]ethenyl]phenoxy]methyl]quinoline
CID 19808909
2-[[3-[[2-(2H-tetrazol-5-ylmethoxy)phenyl]methyl]phenoxy]methyl]quinoline
CID 14995154
2-[[4-[(E)-2-[4-(2H-tetrazol-5-ylmethoxy)phenyl]ethenyl]phenoxy]methyl]quinoline
CID 19808901
2-[[3-[3-[3-[3-(2H-tetrazol-5-yl)propoxy]phenyl]propyl]phenoxy]methyl]quinoline
CID 19856226
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-[[3-[2-benzyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline
CID 14750527
2-[[3-[1-phenyl-5-(2H-tetrazol-5-yl)pentan-2-yl]phenoxy]methyl]quinoline
CID 14750528
2-[[3-[(E)-2-[4-[(E)-2-(2H-tetrazol-5-yl)ethenyl]phenyl]ethenyl]phenoxy]methyl]quinoline;hydrochloride
CID 19808987
2-[[3-[(E)-2-[4-[(E)-3-(2H-tetrazol-5-yl)prop-1-enoxy]phenyl]ethenyl]phenoxy]methyl]quinoline
CID 19827145
2-[[3-[1-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline
CID 19808918
2-[[4-[(E)-2-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]ethenyl]phenoxy]methyl]quinoline
CID 15157915

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2H-tetrazol-5-ylmethoxy)phenoxy]methyl]quinoline?
The IUPAC name of 2-[[3-(2H-tetrazol-5-ylmethoxy)phenoxy]methyl]quinoline (CID 14650343) is 2-[[3-(2H-tetrazol-5-ylmethoxy)phenoxy]methyl]quinoline.
What is the SMILES notation for 2-[[3-(2H-tetrazol-5-ylmethoxy)phenoxy]methyl]quinoline?
The canonical SMILES for 2-[[3-(2H-tetrazol-5-ylmethoxy)phenoxy]methyl]quinoline is c1cc(OCc2ccc3ccccc3n2)cc(OCc2nn[nH]n2)c1.
What is the InChIKey of 2-[[3-(2H-tetrazol-5-ylmethoxy)phenoxy]methyl]quinoline?
The InChIKey is FOTHBOISNKWERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c1-2-7-17-13(4-1)8-9-14(19-17)11-24-15-5-3-6-16(10-15)25-12-18-20-22-23-21-18/h1-10H,11-12H2,(H,20,21,22,23).
What are the key properties of 2-[[3-(2H-tetrazol-5-ylmethoxy)phenoxy]methyl]quinoline?
2-[[3-(2H-tetrazol-5-ylmethoxy)phenoxy]methyl]quinoline has a molecular weight of 333.35 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2H-tetrazol-5-ylmethoxy)phenoxy]methyl]quinoline is sourced from PubChem (CID 14650343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).