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

C25H21N5O3 — CID 59117233

IUPAC2-[[4-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline
SMILESCOc1cc(-c2nn[nH]n2)ccc1COc1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C25H21N5O3/c1-31-24-14-18(25-27-29-30-28-25)6-7-19(24)15-32-21-10-12-22(13-11-21)33-16-20-9-8-17-4-2-3-5-23(17)26-20/h2-14H,15-16H2,1H3,(H,27,28,29,30)
InChIKeyZJRPMPJTTQIZEC-UHFFFAOYSA-N
MW439.48 g/mol
LogP4.58
Rot. Bonds8

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

2-[[4-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline (PubChem CID 59117233) has the molecular formula C25H21N5O3 and a molecular weight of 439.48 g/mol. Its IUPAC name is 2-[[4-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline.

Molecular Properties

Compound Name2-[[4-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline
PubChem CID59117233
Molecular FormulaC25H21N5O3
Molecular Weight439.48 g/mol
Exact Mass439.16
IUPAC Name2-[[4-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline
SMILESCOc1cc(-c2nn[nH]n2)ccc1COc1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C25H21N5O3/c1-31-24-14-18(25-27-29-30-28-25)6-7-19(24)15-32-21-10-12-22(13-11-21)33-16-20-9-8-17-4-2-3-5-23(17)26-20/h2-14H,15-16H2,1H3,(H,27,28,29,30)
InChIKeyZJRPMPJTTQIZEC-UHFFFAOYSA-N
XLogP4.58
TPSA95.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[4-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline
CID 14995097
2-[[4-[[4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline
CID 10293984
2-[[2-[[4-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[4-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[4-[[2-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline
CID 173254790
2-[[4-[1-[4-(2H-tetrazol-5-yl)phenyl]propan-2-yl]phenoxy]methyl]quinoline
CID 14995132
1-[3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]ethenol
CID 21014235
methane;2-[[4-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[3-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[(E)-2-[4-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline
CID 161499373
2-[[3-[1-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline
CID 19808918
2-[[4-[[2-methyl-6-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline
CID 22616083
5-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-2H-tetrazole
CID 132591862
2-[[3-(2H-tetrazol-5-ylmethoxy)phenoxy]methyl]quinoline
CID 14650343
2-[[4-[(E)-2-[4-(2H-tetrazol-5-ylmethoxy)phenyl]ethenyl]phenoxy]methyl]quinoline
CID 19808901
5-(3-methoxy-4-phenylmethoxyphenyl)-2H-tetrazole
CID 863210

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline?
The IUPAC name of 2-[[4-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline (CID 59117233) is 2-[[4-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline.
What is the SMILES notation for 2-[[4-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline?
The canonical SMILES for 2-[[4-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline is COc1cc(-c2nn[nH]n2)ccc1COc1ccc(OCc2ccc3ccccc3n2)cc1.
What is the InChIKey of 2-[[4-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline?
The InChIKey is ZJRPMPJTTQIZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O3/c1-31-24-14-18(25-27-29-30-28-25)6-7-19(24)15-32-21-10-12-22(13-11-21)33-16-20-9-8-17-4-2-3-5-23(17)26-20/h2-14H,15-16H2,1H3,(H,27,28,29,30).
What are the key properties of 2-[[4-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline?
2-[[4-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline has a molecular weight of 439.48 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline is sourced from PubChem (CID 59117233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).