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

C26H23N5O4 — CID 22615989

IUPAC2-[[3-[[2-methoxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline
SMILESCOc1cc(OCc2nn[nH]n2)ccc1COc1cccc(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C26H23N5O4/c1-32-25-14-23(35-17-26-28-30-31-29-26)12-10-19(25)15-33-21-6-4-7-22(13-21)34-16-20-11-9-18-5-2-3-8-24(18)27-20/h2-14H,15-17H2,1H3,(H,28,29,30,31)
InChIKeyIMQNXDFIGBMPIL-UHFFFAOYSA-N
MW469.50 g/mol
LogP4.49
Rot. Bonds10

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

2-[[3-[[2-methoxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline (PubChem CID 22615989) has the molecular formula C26H23N5O4 and a molecular weight of 469.50 g/mol. Its IUPAC name is 2-[[3-[[2-methoxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline.

Molecular Properties

Compound Name2-[[3-[[2-methoxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline
PubChem CID22615989
Molecular FormulaC26H23N5O4
Molecular Weight469.50 g/mol
Exact Mass469.18
IUPAC Name2-[[3-[[2-methoxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline
SMILESCOc1cc(OCc2nn[nH]n2)ccc1COc1cccc(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C26H23N5O4/c1-32-25-14-23(35-17-26-28-30-31-29-26)12-10-19(25)15-33-21-6-4-7-22(13-21)34-16-20-11-9-18-5-2-3-8-24(18)27-20/h2-14H,15-17H2,1H3,(H,28,29,30,31)
InChIKeyIMQNXDFIGBMPIL-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-[[2-methoxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline?
The IUPAC name of 2-[[3-[[2-methoxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline (CID 22615989) is 2-[[3-[[2-methoxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline.
What is the SMILES notation for 2-[[3-[[2-methoxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline?
The canonical SMILES for 2-[[3-[[2-methoxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline is COc1cc(OCc2nn[nH]n2)ccc1COc1cccc(OCc2ccc3ccccc3n2)c1.
What is the InChIKey of 2-[[3-[[2-methoxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline?
The InChIKey is IMQNXDFIGBMPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O4/c1-32-25-14-23(35-17-26-28-30-31-29-26)12-10-19(25)15-33-21-6-4-7-22(13-21)34-16-20-11-9-18-5-2-3-8-24(18)27-20/h2-14H,15-17H2,1H3,(H,28,29,30,31).
What are the key properties of 2-[[3-[[2-methoxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline?
2-[[3-[[2-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-[[2-methoxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline is sourced from PubChem (CID 22615989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).