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

C26H23N5O3 — CID 19856207

IUPAC2-[[2-methyl-5-[[3-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline
SMILESCc1ccc(OCc2cccc(OCc3nn[nH]n3)c2)cc1OCc1ccc2ccccc2n1
InChIInChI=1S/C26H23N5O3/c1-18-9-12-23(14-25(18)34-16-21-11-10-20-6-2-3-8-24(20)27-21)32-15-19-5-4-7-22(13-19)33-17-26-28-30-31-29-26/h2-14H,15-17H2,1H3,(H,28,29,30,31)
InChIKeyZIQVVOKKKOXGQY-UHFFFAOYSA-N
MW453.50 g/mol
LogP4.79
Rot. Bonds9

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

2-[[2-methyl-5-[[3-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline (PubChem CID 19856207) has the molecular formula C26H23N5O3 and a molecular weight of 453.50 g/mol. Its IUPAC name is 2-[[2-methyl-5-[[3-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline.

Molecular Properties

Compound Name2-[[2-methyl-5-[[3-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline
PubChem CID19856207
Molecular FormulaC26H23N5O3
Molecular Weight453.50 g/mol
Exact Mass453.18
IUPAC Name2-[[2-methyl-5-[[3-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline
SMILESCc1ccc(OCc2cccc(OCc3nn[nH]n3)c2)cc1OCc1ccc2ccccc2n1
InChIInChI=1S/C26H23N5O3/c1-18-9-12-23(14-25(18)34-16-21-11-10-20-6-2-3-8-24(20)27-21)32-15-19-5-4-7-22(13-19)33-17-26-28-30-31-29-26/h2-14H,15-17H2,1H3,(H,28,29,30,31)
InChIKeyZIQVVOKKKOXGQY-UHFFFAOYSA-N
XLogP4.79
TPSA95.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-5-[[3-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline?
The IUPAC name of 2-[[2-methyl-5-[[3-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline (CID 19856207) is 2-[[2-methyl-5-[[3-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline.
What is the SMILES notation for 2-[[2-methyl-5-[[3-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline?
The canonical SMILES for 2-[[2-methyl-5-[[3-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline is Cc1ccc(OCc2cccc(OCc3nn[nH]n3)c2)cc1OCc1ccc2ccccc2n1.
What is the InChIKey of 2-[[2-methyl-5-[[3-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline?
The InChIKey is ZIQVVOKKKOXGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O3/c1-18-9-12-23(14-25(18)34-16-21-11-10-20-6-2-3-8-24(20)27-21)32-15-19-5-4-7-22(13-19)33-17-26-28-30-31-29-26/h2-14H,15-17H2,1H3,(H,28,29,30,31).
What are the key properties of 2-[[2-methyl-5-[[3-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline?
2-[[2-methyl-5-[[3-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline has a molecular weight of 453.50 g/mol, XLogP of 4.79, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-5-[[3-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline is sourced from PubChem (CID 19856207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).