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

C25H21N5O2 — CID 10202522

IUPAC2-[[3-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline
SMILESc1cc(OCc2ccc(Cc3nn[nH]n3)cc2)cc(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C25H21N5O2/c1-2-7-24-20(4-1)12-13-21(26-24)17-32-23-6-3-5-22(15-23)31-16-19-10-8-18(9-11-19)14-25-27-29-30-28-25/h1-13,15H,14,16-17H2,(H,27,28,29,30)
InChIKeyHWSZZEHYQFDFID-UHFFFAOYSA-N
MW423.48 g/mol
LogP4.50
Rot. Bonds8

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

2-[[3-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline (PubChem CID 10202522) has the molecular formula C25H21N5O2 and a molecular weight of 423.48 g/mol. Its IUPAC name is 2-[[3-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline.

Molecular Properties

Compound Name2-[[3-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline
PubChem CID10202522
Molecular FormulaC25H21N5O2
Molecular Weight423.48 g/mol
Exact Mass423.17
IUPAC Name2-[[3-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline
SMILESc1cc(OCc2ccc(Cc3nn[nH]n3)cc2)cc(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C25H21N5O2/c1-2-7-24-20(4-1)12-13-21(26-24)17-32-23-6-3-5-22(15-23)31-16-19-10-8-18(9-11-19)14-25-27-29-30-28-25/h1-13,15H,14,16-17H2,(H,27,28,29,30)
InChIKeyHWSZZEHYQFDFID-UHFFFAOYSA-N
XLogP4.50
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 54.50
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-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline?
The IUPAC name of 2-[[3-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline (CID 10202522) is 2-[[3-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline.
What is the SMILES notation for 2-[[3-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline?
The canonical SMILES for 2-[[3-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline is c1cc(OCc2ccc(Cc3nn[nH]n3)cc2)cc(OCc2ccc3ccccc3n2)c1.
What is the InChIKey of 2-[[3-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline?
The InChIKey is HWSZZEHYQFDFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O2/c1-2-7-24-20(4-1)12-13-21(26-24)17-32-23-6-3-5-22(15-23)31-16-19-10-8-18(9-11-19)14-25-27-29-30-28-25/h1-13,15H,14,16-17H2,(H,27,28,29,30).
What are the key properties of 2-[[3-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline?
2-[[3-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline has a molecular weight of 423.48 g/mol, XLogP of 4.50, 8 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-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline is sourced from PubChem (CID 10202522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).