2-[[4-[2-[2-(2H-tetrazol-5-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline

C26H23N5O — CID 54189770

IUPAC2-[[4-[2-[2-(2H-tetrazol-5-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline
SMILESc1ccc(Cc2nn[nH]n2)c(CCc2ccc(OCc3ccc4ccccc4n3)cc2)c1
InChIInChI=1S/C26H23N5O/c1-2-7-22(17-26-28-30-31-29-26)20(5-1)12-9-19-10-15-24(16-11-19)32-18-23-14-13-21-6-3-4-8-25(21)27-23/h1-8,10-11,13-16H,9,12,17-18H2,(H,28,29,30,31)
InChIKeyPHRSSEIHAPVHAH-UHFFFAOYSA-N
MW421.50 g/mol
LogP4.70
Rot. Bonds8

About 2-[[4-[2-[2-(2H-tetrazol-5-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline

2-[[4-[2-[2-(2H-tetrazol-5-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline (PubChem CID 54189770) has the molecular formula C26H23N5O and a molecular weight of 421.50 g/mol. Its IUPAC name is 2-[[4-[2-[2-(2H-tetrazol-5-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline.

Molecular Properties

Compound Name2-[[4-[2-[2-(2H-tetrazol-5-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline
PubChem CID54189770
Molecular FormulaC26H23N5O
Molecular Weight421.50 g/mol
Exact Mass421.19
IUPAC Name2-[[4-[2-[2-(2H-tetrazol-5-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline
SMILESc1ccc(Cc2nn[nH]n2)c(CCc2ccc(OCc3ccc4ccccc4n3)cc2)c1
InChIInChI=1S/C26H23N5O/c1-2-7-22(17-26-28-30-31-29-26)20(5-1)12-9-19-10-15-24(16-11-19)32-18-23-14-13-21-6-3-4-8-25(21)27-23/h1-8,10-11,13-16H,9,12,17-18H2,(H,28,29,30,31)
InChIKeyPHRSSEIHAPVHAH-UHFFFAOYSA-N
XLogP4.70
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[[4-[(E)-2-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]ethenyl]phenoxy]methyl]quinoline
CID 15157915
2-[[4-[2-[4-(2H-tetrazol-5-ylmethyl)phenyl]propyl]phenoxy]methyl]quinoline
CID 14995138
2-[[4-[(E)-2-[4-(2H-tetrazol-5-ylmethoxy)phenyl]ethenyl]phenoxy]methyl]quinoline
CID 19808901
2-[[4-[1-phenyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline
CID 14750546
2-[[4-[[4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline
CID 10293984
2-[[3-(2H-tetrazol-5-ylmethoxy)phenoxy]methyl]quinoline
CID 14650343
2-[[3-[[3-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline
CID 91265267
2-[[3-[[2-(2H-tetrazol-5-ylmethoxy)phenyl]methyl]phenoxy]methyl]quinoline
CID 14995154
2-[[3-[3-[3-[3-(2H-tetrazol-5-yl)propoxy]phenyl]propyl]phenoxy]methyl]quinoline
CID 19856226
2-[[4-[4-(2H-tetrazol-5-yl)pentyl]phenoxy]methyl]quinoline
CID 14750540
2-[[2-methyl-4-[[3-methyl-4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline
CID 22616039
2-[[3-methyl-4-[[3-methyl-4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline
CID 19856213

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-[2-(2H-tetrazol-5-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline?
The IUPAC name of 2-[[4-[2-[2-(2H-tetrazol-5-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline (CID 54189770) is 2-[[4-[2-[2-(2H-tetrazol-5-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline.
What is the SMILES notation for 2-[[4-[2-[2-(2H-tetrazol-5-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline?
The canonical SMILES for 2-[[4-[2-[2-(2H-tetrazol-5-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline is c1ccc(Cc2nn[nH]n2)c(CCc2ccc(OCc3ccc4ccccc4n3)cc2)c1.
What is the InChIKey of 2-[[4-[2-[2-(2H-tetrazol-5-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline?
The InChIKey is PHRSSEIHAPVHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O/c1-2-7-22(17-26-28-30-31-29-26)20(5-1)12-9-19-10-15-24(16-11-19)32-18-23-14-13-21-6-3-4-8-25(21)27-23/h1-8,10-11,13-16H,9,12,17-18H2,(H,28,29,30,31).
What are the key properties of 2-[[4-[2-[2-(2H-tetrazol-5-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline?
2-[[4-[2-[2-(2H-tetrazol-5-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline has a molecular weight of 421.50 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-[2-(2H-tetrazol-5-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline is sourced from PubChem (CID 54189770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).