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

C27H25N5O3 — CID 19856213

IUPAC2-[[3-methyl-4-[[3-methyl-4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline
SMILESCc1cc(OCc2ccc3ccccc3n2)ccc1OCc1ccc(OCc2nn[nH]n2)c(C)c1
InChIInChI=1S/C27H25N5O3/c1-18-13-20(7-11-25(18)35-17-27-29-31-32-30-27)15-34-26-12-10-23(14-19(26)2)33-16-22-9-8-21-5-3-4-6-24(21)28-22/h3-14H,15-17H2,1-2H3,(H,29,30,31,32)
InChIKeyWHAONMFVVRDMKL-UHFFFAOYSA-N
MW467.53 g/mol
LogP5.10
Rot. Bonds9

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

2-[[3-methyl-4-[[3-methyl-4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline (PubChem CID 19856213) has the molecular formula C27H25N5O3 and a molecular weight of 467.53 g/mol. Its IUPAC name is 2-[[3-methyl-4-[[3-methyl-4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline.

Molecular Properties

Compound Name2-[[3-methyl-4-[[3-methyl-4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline
PubChem CID19856213
Molecular FormulaC27H25N5O3
Molecular Weight467.53 g/mol
Exact Mass467.20
IUPAC Name2-[[3-methyl-4-[[3-methyl-4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline
SMILESCc1cc(OCc2ccc3ccccc3n2)ccc1OCc1ccc(OCc2nn[nH]n2)c(C)c1
InChIInChI=1S/C27H25N5O3/c1-18-13-20(7-11-25(18)35-17-27-29-31-32-30-27)15-34-26-12-10-23(14-19(26)2)33-16-22-9-8-21-5-3-4-6-24(21)28-22/h3-14H,15-17H2,1-2H3,(H,29,30,31,32)
InChIKeyWHAONMFVVRDMKL-UHFFFAOYSA-N
XLogP5.10
TPSA95.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.53
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-[[2-methyl-4-[[3-methyl-4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline
CID 22616039
2-[[3-(2H-tetrazol-5-ylmethoxy)phenoxy]methyl]quinoline
CID 14650343
2-[[3-[[2-methyl-4-[(E)-2-(2H-tetrazol-5-yl)ethenyl]phenoxy]methyl]phenoxy]methyl]quinoline
CID 22615953
2-[[3-[[2-(2H-tetrazol-5-ylmethoxy)phenyl]methyl]phenoxy]methyl]quinoline
CID 14995154
2-[[4-[(E)-2-[4-(2H-tetrazol-5-ylmethoxy)phenyl]ethenyl]phenoxy]methyl]quinoline
CID 19808901
2-[[3-[(E)-2-[4-(2H-tetrazol-5-ylmethoxy)phenyl]ethenyl]phenoxy]methyl]quinoline
CID 19808909
2-[[3-[[3-methyl-2-(2H-tetrazol-5-yl)-1-benzothiophen-5-yl]oxymethyl]phenoxy]methyl]quinoline
CID 14995293
2-[[4-[(E)-2-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]ethenyl]phenoxy]methyl]quinoline
CID 15157915
2-[[4-[2-[2-(2H-tetrazol-5-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline
CID 54189770
2-[[4-[2-[4-(2H-tetrazol-5-ylmethyl)phenyl]propyl]phenoxy]methyl]quinoline
CID 14995138
2-[[3-[3-[3-[3-(2H-tetrazol-5-yl)propoxy]phenyl]propyl]phenoxy]methyl]quinoline
CID 19856226
5-[(3,4-dimethylphenoxy)methyl]-2H-tetrazole
CID 82076912

Frequently Asked Questions

What is the IUPAC name of 2-[[3-methyl-4-[[3-methyl-4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline?
The IUPAC name of 2-[[3-methyl-4-[[3-methyl-4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline (CID 19856213) is 2-[[3-methyl-4-[[3-methyl-4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline.
What is the SMILES notation for 2-[[3-methyl-4-[[3-methyl-4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline?
The canonical SMILES for 2-[[3-methyl-4-[[3-methyl-4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline is Cc1cc(OCc2ccc3ccccc3n2)ccc1OCc1ccc(OCc2nn[nH]n2)c(C)c1.
What is the InChIKey of 2-[[3-methyl-4-[[3-methyl-4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline?
The InChIKey is WHAONMFVVRDMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O3/c1-18-13-20(7-11-25(18)35-17-27-29-31-32-30-27)15-34-26-12-10-23(14-19(26)2)33-16-22-9-8-21-5-3-4-6-24(21)28-22/h3-14H,15-17H2,1-2H3,(H,29,30,31,32).
What are the key properties of 2-[[3-methyl-4-[[3-methyl-4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline?
2-[[3-methyl-4-[[3-methyl-4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline has a molecular weight of 467.53 g/mol, XLogP of 5.10, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-methyl-4-[[3-methyl-4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline is sourced from PubChem (CID 19856213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).