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

C24H19N5O2 — CID 10223215

IUPAC2-[[4-[[4-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline
SMILESc1ccc2nc(COc3ccc(COc4ccc(-c5nn[nH]n5)cc4)cc3)ccc2c1
InChIInChI=1S/C24H19N5O2/c1-2-4-23-18(3-1)7-10-20(25-23)16-31-21-11-5-17(6-12-21)15-30-22-13-8-19(9-14-22)24-26-28-29-27-24/h1-14H,15-16H2,(H,26,27,28,29)
InChIKeyKSLJQZMWPJNKKP-UHFFFAOYSA-N
MW409.45 g/mol
LogP4.57
Rot. Bonds7

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

2-[[4-[[4-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline (PubChem CID 10223215) has the molecular formula C24H19N5O2 and a molecular weight of 409.45 g/mol. Its IUPAC name is 2-[[4-[[4-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline.

Molecular Properties

Compound Name2-[[4-[[4-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline
PubChem CID10223215
Molecular FormulaC24H19N5O2
Molecular Weight409.45 g/mol
Exact Mass409.15
IUPAC Name2-[[4-[[4-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline
SMILESc1ccc2nc(COc3ccc(COc4ccc(-c5nn[nH]n5)cc4)cc3)ccc2c1
InChIInChI=1S/C24H19N5O2/c1-2-4-23-18(3-1)7-10-20(25-23)16-31-21-11-5-17(6-12-21)15-30-22-13-8-19(9-14-22)24-26-28-29-27-24/h1-14H,15-16H2,(H,26,27,28,29)
InChIKeyKSLJQZMWPJNKKP-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-[[4-[[4-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline?
The IUPAC name of 2-[[4-[[4-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline (CID 10223215) is 2-[[4-[[4-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline.
What is the SMILES notation for 2-[[4-[[4-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline?
The canonical SMILES for 2-[[4-[[4-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline is c1ccc2nc(COc3ccc(COc4ccc(-c5nn[nH]n5)cc4)cc3)ccc2c1.
What is the InChIKey of 2-[[4-[[4-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline?
The InChIKey is KSLJQZMWPJNKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2/c1-2-4-23-18(3-1)7-10-20(25-23)16-31-21-11-5-17(6-12-21)15-30-22-13-8-19(9-14-22)24-26-28-29-27-24/h1-14H,15-16H2,(H,26,27,28,29).
What are the key properties of 2-[[4-[[4-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline?
2-[[4-[[4-(2H-tetrazol-5-yl)phenoxy]methyl]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-[[4-[[4-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline is sourced from PubChem (CID 10223215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).