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

C22H23N5O — CID 14742713

IUPAC2-[[3-[2-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline
SMILESCC(CCc1nn[nH]n1)Cc1cccc(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C22H23N5O/c1-16(9-12-22-24-26-27-25-22)13-17-5-4-7-20(14-17)28-15-19-11-10-18-6-2-3-8-21(18)23-19/h2-8,10-11,14,16H,9,12-13,15H2,1H3,(H,24,25,26,27)
InChIKeyGABZVHZCIWHURT-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.14
Rot. Bonds8

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

2-[[3-[2-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline (PubChem CID 14742713) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-[[3-[2-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline.

Molecular Properties

Compound Name2-[[3-[2-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline
PubChem CID14742713
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name2-[[3-[2-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline
SMILESCC(CCc1nn[nH]n1)Cc1cccc(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C22H23N5O/c1-16(9-12-22-24-26-27-25-22)13-17-5-4-7-20(14-17)28-15-19-11-10-18-6-2-3-8-21(18)23-19/h2-8,10-11,14,16H,9,12-13,15H2,1H3,(H,24,25,26,27)
InChIKeyGABZVHZCIWHURT-UHFFFAOYSA-N
XLogP4.14
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[2-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline?
The IUPAC name of 2-[[3-[2-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline (CID 14742713) is 2-[[3-[2-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline.
What is the SMILES notation for 2-[[3-[2-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline?
The canonical SMILES for 2-[[3-[2-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline is CC(CCc1nn[nH]n1)Cc1cccc(OCc2ccc3ccccc3n2)c1.
What is the InChIKey of 2-[[3-[2-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline?
The InChIKey is GABZVHZCIWHURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-16(9-12-22-24-26-27-25-22)13-17-5-4-7-20(14-17)28-15-19-11-10-18-6-2-3-8-21(18)23-19/h2-8,10-11,14,16H,9,12-13,15H2,1H3,(H,24,25,26,27).
What are the key properties of 2-[[3-[2-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline?
2-[[3-[2-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline has a molecular weight of 373.46 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[2-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline is sourced from PubChem (CID 14742713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).