ethyl 4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)benzoate

C18H14N4O3 — CID 53125790

IUPACethyl 4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)benzoate
SMILESCCOC(=O)c1ccc(Oc2nc3ccccc3n3cnnc23)cc1
InChIInChI=1S/C18H14N4O3/c1-2-24-18(23)12-7-9-13(10-8-12)25-17-16-21-19-11-22(16)15-6-4-3-5-14(15)20-17/h3-11H,2H2,1H3
InChIKeyZBCBNDUZDNLWOW-UHFFFAOYSA-N
MW334.34 g/mol
LogP3.25
Rot. Bonds4

About ethyl 4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)benzoate

ethyl 4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)benzoate (PubChem CID 53125790) has the molecular formula C18H14N4O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is ethyl 4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)benzoate.

Molecular Properties

Compound Nameethyl 4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)benzoate
PubChem CID53125790
Molecular FormulaC18H14N4O3
Molecular Weight334.34 g/mol
Exact Mass334.11
IUPAC Nameethyl 4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)benzoate
SMILESCCOC(=O)c1ccc(Oc2nc3ccccc3n3cnnc23)cc1
InChIInChI=1S/C18H14N4O3/c1-2-24-18(23)12-7-9-13(10-8-12)25-17-16-21-19-11-22(16)15-6-4-3-5-14(15)20-17/h3-11H,2H2,1H3
InChIKeyZBCBNDUZDNLWOW-UHFFFAOYSA-N
XLogP3.25
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

propyl 4-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)benzoate
CID 20880184
2-(4-chlorophenyl)-N-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)phenyl]acetamide
CID 53125781
ethyl 4-[(6-ethoxy-2-pyridinyl)oxy]benzoate
CID 65019360
ethyl 4-[3-(2-methylphenoxy)indazol-1-yl]benzoate
CID 118142020
ethyl 4-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]benzoate
CID 40540953
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
ethyl 4-[[4-(diethylamino)-6-(4-ethoxycarbonylphenoxy)-1,3,5-triazin-2-yl]oxy]benzoate
CID 23265613
ethyl 3-amino-4-(benzimidazol-1-yl)benzoate
CID 61311135
ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
CID 11110194
ethyl 4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]benzoate
CID 140963794
ethyl 4-[(2-carbamoyl-4-pyridinyl)oxy]benzoate
CID 65019269
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430

Frequently Asked Questions

What is the IUPAC name of ethyl 4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)benzoate?
The IUPAC name of ethyl 4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)benzoate (CID 53125790) is ethyl 4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)benzoate.
What is the SMILES notation for ethyl 4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)benzoate?
The canonical SMILES for ethyl 4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)benzoate is CCOC(=O)c1ccc(Oc2nc3ccccc3n3cnnc23)cc1.
What is the InChIKey of ethyl 4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)benzoate?
The InChIKey is ZBCBNDUZDNLWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3/c1-2-24-18(23)12-7-9-13(10-8-12)25-17-16-21-19-11-22(16)15-6-4-3-5-14(15)20-17/h3-11H,2H2,1H3.
What are the key properties of ethyl 4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)benzoate?
ethyl 4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)benzoate has a molecular weight of 334.34 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)benzoate is sourced from PubChem (CID 53125790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).