4-[(E)-2-(4-methoxyphenyl)ethenyl]tetrazolo[1,5-a]quinoxaline

C17H13N5O — CID 42598956

IUPAC4-[(E)-2-(4-methoxyphenyl)ethenyl]tetrazolo[1,5-a]quinoxaline
SMILESCOc1ccc(/C=C/c2nc3ccccc3n3nnnc23)cc1
InChIInChI=1S/C17H13N5O/c1-23-13-9-6-12(7-10-13)8-11-15-17-19-20-21-22(17)16-5-3-2-4-14(16)18-15/h2-11H,1H3/b11-8+
InChIKeyQZSZDVMJSZWCEB-DHZHZOJOSA-N
MW303.33 g/mol
LogP2.85
Rot. Bonds3

About 4-[(E)-2-(4-methoxyphenyl)ethenyl]tetrazolo[1,5-a]quinoxaline

4-[(E)-2-(4-methoxyphenyl)ethenyl]tetrazolo[1,5-a]quinoxaline (PubChem CID 42598956) has the molecular formula C17H13N5O and a molecular weight of 303.33 g/mol. Its IUPAC name is 4-[(E)-2-(4-methoxyphenyl)ethenyl]tetrazolo[1,5-a]quinoxaline.

Molecular Properties

Compound Name4-[(E)-2-(4-methoxyphenyl)ethenyl]tetrazolo[1,5-a]quinoxaline
PubChem CID42598956
Molecular FormulaC17H13N5O
Molecular Weight303.33 g/mol
Exact Mass303.11
IUPAC Name4-[(E)-2-(4-methoxyphenyl)ethenyl]tetrazolo[1,5-a]quinoxaline
SMILESCOc1ccc(/C=C/c2nc3ccccc3n3nnnc23)cc1
InChIInChI=1S/C17H13N5O/c1-23-13-9-6-12(7-10-13)8-11-15-17-19-20-21-22(17)16-5-3-2-4-14(16)18-15/h2-11H,1H3/b11-8+
InChIKeyQZSZDVMJSZWCEB-DHZHZOJOSA-N
XLogP2.85
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[(E)-2-(4-methoxyphenyl)ethenyl]tetrazolo[1,5-a]quinoxaline 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

Etodesnitazene
CID 149797386
Metodesnitazene
CID 26412
2-(4-methoxyphenyl)-1H-1,3-benzodiazole
CID 345686
1-(4-methoxybenzyl)-2-(4-methoxyphenyl)-1H-benzo(d)imidazole
CID 746182
3-(2-Fluoro-5-methoxyphenyl)-12-methoxy-5-methyl-2,4,7,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 46200734
1-Ethyl-2-(4-methoxy-benzyl)-1H-benzoimidazole
CID 962281
2-(4-Methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 754731
1-Methyl-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxaline
CID 1415680
US11419874, Example 5
CID 110173727
1-(4-Methoxy-benzyl)-2-piperazin-1-yl-1H-benzoimidazole
CID 10336265
N-(3-methoxybenzyl)-8-methyl[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 6619246
4-{(2E)-2-[1-(3,4-dimethoxyphenyl)ethylidene]hydrazinyl}[1,2,4]triazolo[4,3-a]quinoxaline
CID 9623642

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-methoxyphenyl)ethenyl]tetrazolo[1,5-a]quinoxaline?
The IUPAC name of 4-[(E)-2-(4-methoxyphenyl)ethenyl]tetrazolo[1,5-a]quinoxaline (CID 42598956) is 4-[(E)-2-(4-methoxyphenyl)ethenyl]tetrazolo[1,5-a]quinoxaline.
What is the SMILES notation for 4-[(E)-2-(4-methoxyphenyl)ethenyl]tetrazolo[1,5-a]quinoxaline?
The canonical SMILES for 4-[(E)-2-(4-methoxyphenyl)ethenyl]tetrazolo[1,5-a]quinoxaline is COc1ccc(/C=C/c2nc3ccccc3n3nnnc23)cc1.
What is the InChIKey of 4-[(E)-2-(4-methoxyphenyl)ethenyl]tetrazolo[1,5-a]quinoxaline?
The InChIKey is QZSZDVMJSZWCEB-DHZHZOJOSA-N. The full InChI is InChI=1S/C17H13N5O/c1-23-13-9-6-12(7-10-13)8-11-15-17-19-20-21-22(17)16-5-3-2-4-14(16)18-15/h2-11H,1H3/b11-8+.
What are the key properties of 4-[(E)-2-(4-methoxyphenyl)ethenyl]tetrazolo[1,5-a]quinoxaline?
4-[(E)-2-(4-methoxyphenyl)ethenyl]tetrazolo[1,5-a]quinoxaline has a molecular weight of 303.33 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-methoxyphenyl)ethenyl]tetrazolo[1,5-a]quinoxaline is sourced from PubChem (CID 42598956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).