2-[[4-[2-[2-(2H-tetrazol-5-yl)ethyl]pentyl]phenoxy]methyl]quinoline

C24H27N5O — CID 14742716

IUPAC2-[[4-[2-[2-(2H-tetrazol-5-yl)ethyl]pentyl]phenoxy]methyl]quinoline
SMILESCCCC(CCc1nn[nH]n1)Cc1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C24H27N5O/c1-2-5-18(10-15-24-26-28-29-27-24)16-19-8-13-22(14-9-19)30-17-21-12-11-20-6-3-4-7-23(20)25-21/h3-4,6-9,11-14,18H,2,5,10,15-17H2,1H3,(H,26,27,28,29)
InChIKeyNVJMQGGDOQCOSL-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.92
Rot. Bonds10

About 2-[[4-[2-[2-(2H-tetrazol-5-yl)ethyl]pentyl]phenoxy]methyl]quinoline

2-[[4-[2-[2-(2H-tetrazol-5-yl)ethyl]pentyl]phenoxy]methyl]quinoline (PubChem CID 14742716) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is 2-[[4-[2-[2-(2H-tetrazol-5-yl)ethyl]pentyl]phenoxy]methyl]quinoline.

Molecular Properties

Compound Name2-[[4-[2-[2-(2H-tetrazol-5-yl)ethyl]pentyl]phenoxy]methyl]quinoline
PubChem CID14742716
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name2-[[4-[2-[2-(2H-tetrazol-5-yl)ethyl]pentyl]phenoxy]methyl]quinoline
SMILESCCCC(CCc1nn[nH]n1)Cc1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C24H27N5O/c1-2-5-18(10-15-24-26-28-29-27-24)16-19-8-13-22(14-9-19)30-17-21-12-11-20-6-3-4-7-23(20)25-21/h3-4,6-9,11-14,18H,2,5,10,15-17H2,1H3,(H,26,27,28,29)
InChIKeyNVJMQGGDOQCOSL-UHFFFAOYSA-N
XLogP4.92
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-[2-(2H-tetrazol-5-yl)ethyl]pentyl]phenoxy]methyl]quinoline?
The IUPAC name of 2-[[4-[2-[2-(2H-tetrazol-5-yl)ethyl]pentyl]phenoxy]methyl]quinoline (CID 14742716) is 2-[[4-[2-[2-(2H-tetrazol-5-yl)ethyl]pentyl]phenoxy]methyl]quinoline.
What is the SMILES notation for 2-[[4-[2-[2-(2H-tetrazol-5-yl)ethyl]pentyl]phenoxy]methyl]quinoline?
The canonical SMILES for 2-[[4-[2-[2-(2H-tetrazol-5-yl)ethyl]pentyl]phenoxy]methyl]quinoline is CCCC(CCc1nn[nH]n1)Cc1ccc(OCc2ccc3ccccc3n2)cc1.
What is the InChIKey of 2-[[4-[2-[2-(2H-tetrazol-5-yl)ethyl]pentyl]phenoxy]methyl]quinoline?
The InChIKey is NVJMQGGDOQCOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c1-2-5-18(10-15-24-26-28-29-27-24)16-19-8-13-22(14-9-19)30-17-21-12-11-20-6-3-4-7-23(20)25-21/h3-4,6-9,11-14,18H,2,5,10,15-17H2,1H3,(H,26,27,28,29).
What are the key properties of 2-[[4-[2-[2-(2H-tetrazol-5-yl)ethyl]pentyl]phenoxy]methyl]quinoline?
2-[[4-[2-[2-(2H-tetrazol-5-yl)ethyl]pentyl]phenoxy]methyl]quinoline has a molecular weight of 401.51 g/mol, XLogP of 4.92, 10 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-yl)ethyl]pentyl]phenoxy]methyl]quinoline is sourced from PubChem (CID 14742716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).