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

C26H23N5O4 — CID 22616010

IUPAC2-[[3-[[3-methoxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline
SMILESCOc1cc(COc2cccc(OCc3ccc4ccccc4n3)c2)ccc1OCc1nn[nH]n1
InChIInChI=1S/C26H23N5O4/c1-32-25-13-18(9-12-24(25)35-17-26-28-30-31-29-26)15-33-21-6-4-7-22(14-21)34-16-20-11-10-19-5-2-3-8-23(19)27-20/h2-14H,15-17H2,1H3,(H,28,29,30,31)
InChIKeyHTOIZYCURNAVFE-UHFFFAOYSA-N
MW469.50 g/mol
LogP4.49
Rot. Bonds10

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

2-[[3-[[3-methoxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline (PubChem CID 22616010) has the molecular formula C26H23N5O4 and a molecular weight of 469.50 g/mol. Its IUPAC name is 2-[[3-[[3-methoxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline.

Molecular Properties

Compound Name2-[[3-[[3-methoxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline
PubChem CID22616010
Molecular FormulaC26H23N5O4
Molecular Weight469.50 g/mol
Exact Mass469.18
IUPAC Name2-[[3-[[3-methoxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline
SMILESCOc1cc(COc2cccc(OCc3ccc4ccccc4n3)c2)ccc1OCc1nn[nH]n1
InChIInChI=1S/C26H23N5O4/c1-32-25-13-18(9-12-24(25)35-17-26-28-30-31-29-26)15-33-21-6-4-7-22(14-21)34-16-20-11-10-19-5-2-3-8-23(19)27-20/h2-14H,15-17H2,1H3,(H,28,29,30,31)
InChIKeyHTOIZYCURNAVFE-UHFFFAOYSA-N
XLogP4.49
TPSA104.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.50
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[3-methoxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline?
The IUPAC name of 2-[[3-[[3-methoxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline (CID 22616010) is 2-[[3-[[3-methoxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline.
What is the SMILES notation for 2-[[3-[[3-methoxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline?
The canonical SMILES for 2-[[3-[[3-methoxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline is COc1cc(COc2cccc(OCc3ccc4ccccc4n3)c2)ccc1OCc1nn[nH]n1.
What is the InChIKey of 2-[[3-[[3-methoxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline?
The InChIKey is HTOIZYCURNAVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O4/c1-32-25-13-18(9-12-24(25)35-17-26-28-30-31-29-26)15-33-21-6-4-7-22(14-21)34-16-20-11-10-19-5-2-3-8-23(19)27-20/h2-14H,15-17H2,1H3,(H,28,29,30,31).
What are the key properties of 2-[[3-[[3-methoxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline?
2-[[3-[[3-methoxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline has a molecular weight of 469.50 g/mol, XLogP of 4.49, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[3-methoxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline is sourced from PubChem (CID 22616010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).