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

C24H19N5O2 — CID 10158419

IUPAC2-[[3-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline
SMILESc1cc(OCc2ccc(-c3nn[nH]n3)cc2)cc(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C24H19N5O2/c1-2-7-23-18(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/h1-14H,15-16H2,(H,26,27,28,29)
InChIKeyAWHSQBQAQBXRMH-UHFFFAOYSA-N
MW409.45 g/mol
LogP4.57
Rot. Bonds7

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

2-[[3-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline (PubChem CID 10158419) has the molecular formula C24H19N5O2 and a molecular weight of 409.45 g/mol. Its IUPAC name is 2-[[3-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline.

Molecular Properties

Compound Name2-[[3-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline
PubChem CID10158419
Molecular FormulaC24H19N5O2
Molecular Weight409.45 g/mol
Exact Mass409.15
IUPAC Name2-[[3-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline
SMILESc1cc(OCc2ccc(-c3nn[nH]n3)cc2)cc(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C24H19N5O2/c1-2-7-23-18(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/h1-14H,15-16H2,(H,26,27,28,29)
InChIKeyAWHSQBQAQBXRMH-UHFFFAOYSA-N
XLogP4.57
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline?
The IUPAC name of 2-[[3-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline (CID 10158419) is 2-[[3-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline.
What is the SMILES notation for 2-[[3-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline?
The canonical SMILES for 2-[[3-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline is c1cc(OCc2ccc(-c3nn[nH]n3)cc2)cc(OCc2ccc3ccccc3n2)c1.
What is the InChIKey of 2-[[3-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline?
The InChIKey is AWHSQBQAQBXRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2/c1-2-7-23-18(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/h1-14H,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-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline has a molecular weight of 409.45 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline is sourced from PubChem (CID 10158419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).