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

C22H23N5O — CID 14750540

IUPAC2-[[4-[4-(2H-tetrazol-5-yl)pentyl]phenoxy]methyl]quinoline
SMILESCC(CCCc1ccc(OCc2ccc3ccccc3n2)cc1)c1nn[nH]n1
InChIInChI=1S/C22H23N5O/c1-16(22-24-26-27-25-22)5-4-6-17-9-13-20(14-10-17)28-15-19-12-11-18-7-2-3-8-21(18)23-19/h2-3,7-14,16H,4-6,15H2,1H3,(H,24,25,26,27)
InChIKeyAHDQQOXPHZOVSR-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.45
Rot. Bonds8

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

2-[[4-[4-(2H-tetrazol-5-yl)pentyl]phenoxy]methyl]quinoline (PubChem CID 14750540) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-[[4-[4-(2H-tetrazol-5-yl)pentyl]phenoxy]methyl]quinoline.

Molecular Properties

Compound Name2-[[4-[4-(2H-tetrazol-5-yl)pentyl]phenoxy]methyl]quinoline
PubChem CID14750540
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name2-[[4-[4-(2H-tetrazol-5-yl)pentyl]phenoxy]methyl]quinoline
SMILESCC(CCCc1ccc(OCc2ccc3ccccc3n2)cc1)c1nn[nH]n1
InChIInChI=1S/C22H23N5O/c1-16(22-24-26-27-25-22)5-4-6-17-9-13-20(14-10-17)28-15-19-12-11-18-7-2-3-8-21(18)23-19/h2-3,7-14,16H,4-6,15H2,1H3,(H,24,25,26,27)
InChIKeyAHDQQOXPHZOVSR-UHFFFAOYSA-N
XLogP4.45
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 ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-[4-(2H-tetrazol-5-yl)heptyl]phenoxy]methyl]quinoline
CID 14750519
2-[[4-[[3-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]phenoxy]methyl]quinoline
CID 19856224
2-[[4-[1-phenyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline
CID 14750546
2-[[4-(4-methoxybutyl)phenoxy]methyl]quinoline
CID 21280545
2-[[4-[1-[4-(2H-tetrazol-5-yl)phenyl]propan-2-yl]phenoxy]methyl]quinoline
CID 14995132
2-[[4-[2-[4-(2H-tetrazol-5-ylmethyl)phenyl]propyl]phenoxy]methyl]quinoline
CID 14995138
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-[[4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline
CID 10293984
2-[[4-[(4-propylphenyl)methoxy]phenoxy]methyl]quinoline
CID 57057623
1,5-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-3-one
CID 10792807
[4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 28773235

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-(2H-tetrazol-5-yl)pentyl]phenoxy]methyl]quinoline?
The IUPAC name of 2-[[4-[4-(2H-tetrazol-5-yl)pentyl]phenoxy]methyl]quinoline (CID 14750540) is 2-[[4-[4-(2H-tetrazol-5-yl)pentyl]phenoxy]methyl]quinoline.
What is the SMILES notation for 2-[[4-[4-(2H-tetrazol-5-yl)pentyl]phenoxy]methyl]quinoline?
The canonical SMILES for 2-[[4-[4-(2H-tetrazol-5-yl)pentyl]phenoxy]methyl]quinoline is CC(CCCc1ccc(OCc2ccc3ccccc3n2)cc1)c1nn[nH]n1.
What is the InChIKey of 2-[[4-[4-(2H-tetrazol-5-yl)pentyl]phenoxy]methyl]quinoline?
The InChIKey is AHDQQOXPHZOVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-16(22-24-26-27-25-22)5-4-6-17-9-13-20(14-10-17)28-15-19-12-11-18-7-2-3-8-21(18)23-19/h2-3,7-14,16H,4-6,15H2,1H3,(H,24,25,26,27).
What are the key properties of 2-[[4-[4-(2H-tetrazol-5-yl)pentyl]phenoxy]methyl]quinoline?
2-[[4-[4-(2H-tetrazol-5-yl)pentyl]phenoxy]methyl]quinoline has a molecular weight of 373.46 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-(2H-tetrazol-5-yl)pentyl]phenoxy]methyl]quinoline is sourced from PubChem (CID 14750540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).