2-[[3-[4-(2H-tetrazol-5-yl)heptyl]phenoxy]methyl]quinoline

C24H27N5O — CID 14750519

IUPAC2-[[3-[4-(2H-tetrazol-5-yl)heptyl]phenoxy]methyl]quinoline
SMILESCCCC(CCCc1cccc(OCc2ccc3ccccc3n2)c1)c1nn[nH]n1
InChIInChI=1S/C24H27N5O/c1-2-7-20(24-26-28-29-27-24)11-5-8-18-9-6-12-22(16-18)30-17-21-15-14-19-10-3-4-13-23(19)25-21/h3-4,6,9-10,12-16,20H,2,5,7-8,11,17H2,1H3,(H,26,27,28,29)
InChIKeyIJYSHTWWONCXRR-UHFFFAOYSA-N
MW401.51 g/mol
LogP5.23
Rot. Bonds10

About 2-[[3-[4-(2H-tetrazol-5-yl)heptyl]phenoxy]methyl]quinoline

2-[[3-[4-(2H-tetrazol-5-yl)heptyl]phenoxy]methyl]quinoline (PubChem CID 14750519) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is 2-[[3-[4-(2H-tetrazol-5-yl)heptyl]phenoxy]methyl]quinoline.

Molecular Properties

Compound Name2-[[3-[4-(2H-tetrazol-5-yl)heptyl]phenoxy]methyl]quinoline
PubChem CID14750519
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name2-[[3-[4-(2H-tetrazol-5-yl)heptyl]phenoxy]methyl]quinoline
SMILESCCCC(CCCc1cccc(OCc2ccc3ccccc3n2)c1)c1nn[nH]n1
InChIInChI=1S/C24H27N5O/c1-2-7-20(24-26-28-29-27-24)11-5-8-18-9-6-12-22(16-18)30-17-21-15-14-19-10-3-4-13-23(19)25-21/h3-4,6,9-10,12-16,20H,2,5,7-8,11,17H2,1H3,(H,26,27,28,29)
InChIKeyIJYSHTWWONCXRR-UHFFFAOYSA-N
XLogP5.23
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[3-[4-(2H-tetrazol-5-yl)heptyl]phenoxy]methyl]quinoline with MolForge

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Related Compounds

2-[(3-hexylphenoxy)methyl]quinoline
CID 14349142
2-[[4-[4-(2H-tetrazol-5-yl)pentyl]phenoxy]methyl]quinoline
CID 14750540
2-[[3-[3-[3-[3-(2H-tetrazol-5-yl)propoxy]phenyl]propyl]phenoxy]methyl]quinoline
CID 19856226
2-[[3-[1-phenyl-5-(2H-tetrazol-5-yl)pentan-2-yl]phenoxy]methyl]quinoline
CID 14750528
2-[[4-[[3-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]phenoxy]methyl]quinoline
CID 19856224
2-[[3-[2-benzyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline
CID 14750527
2-[[3-(2H-tetrazol-5-ylmethoxy)phenoxy]methyl]quinoline
CID 14650343
2-[[3-(bromomethyl)phenoxy]methyl]quinoline
CID 43324683
2-[[3-[[2-(2H-tetrazol-5-ylmethoxy)phenyl]methyl]phenoxy]methyl]quinoline
CID 14995154
2-[[3-[[2-methyl-4-[(E)-2-(2H-tetrazol-5-yl)ethenyl]phenoxy]methyl]phenoxy]methyl]quinoline
CID 22615953
2-[[3-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline
CID 14995097
2-[[3-[[3-methyl-2-(2H-tetrazol-5-yl)-1-benzothiophen-5-yl]oxymethyl]phenoxy]methyl]quinoline
CID 14995293

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[4-(2H-tetrazol-5-yl)heptyl]phenoxy]methyl]quinoline?
The IUPAC name of 2-[[3-[4-(2H-tetrazol-5-yl)heptyl]phenoxy]methyl]quinoline (CID 14750519) is 2-[[3-[4-(2H-tetrazol-5-yl)heptyl]phenoxy]methyl]quinoline.
What is the SMILES notation for 2-[[3-[4-(2H-tetrazol-5-yl)heptyl]phenoxy]methyl]quinoline?
The canonical SMILES for 2-[[3-[4-(2H-tetrazol-5-yl)heptyl]phenoxy]methyl]quinoline is CCCC(CCCc1cccc(OCc2ccc3ccccc3n2)c1)c1nn[nH]n1.
What is the InChIKey of 2-[[3-[4-(2H-tetrazol-5-yl)heptyl]phenoxy]methyl]quinoline?
The InChIKey is IJYSHTWWONCXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c1-2-7-20(24-26-28-29-27-24)11-5-8-18-9-6-12-22(16-18)30-17-21-15-14-19-10-3-4-13-23(19)25-21/h3-4,6,9-10,12-16,20H,2,5,7-8,11,17H2,1H3,(H,26,27,28,29).
What are the key properties of 2-[[3-[4-(2H-tetrazol-5-yl)heptyl]phenoxy]methyl]quinoline?
2-[[3-[4-(2H-tetrazol-5-yl)heptyl]phenoxy]methyl]quinoline has a molecular weight of 401.51 g/mol, XLogP of 5.23, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[4-(2H-tetrazol-5-yl)heptyl]phenoxy]methyl]quinoline is sourced from PubChem (CID 14750519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).