ethyl 4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline-7-carboxylate

C19H16N4O2 — CID 71151966

IUPACethyl 4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline-7-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)nc(C)c1nnc(-c3ccccc3)n12
InChIInChI=1S/C19H16N4O2/c1-3-25-19(24)14-9-10-16-15(11-14)20-12(2)17-21-22-18(23(16)17)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3
InChIKeySKEZDIOVBYJCOV-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.43
Rot. Bonds3

About ethyl 4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline-7-carboxylate

ethyl 4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline-7-carboxylate (PubChem CID 71151966) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is ethyl 4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline-7-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline-7-carboxylate
PubChem CID71151966
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Nameethyl 4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline-7-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)nc(C)c1nnc(-c3ccccc3)n12
InChIInChI=1S/C19H16N4O2/c1-3-25-19(24)14-9-10-16-15(11-14)20-12(2)17-21-22-18(23(16)17)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3
InChIKeySKEZDIOVBYJCOV-UHFFFAOYSA-N
XLogP3.43
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline-7-carboxylate?
The IUPAC name of ethyl 4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline-7-carboxylate (CID 71151966) is ethyl 4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline-7-carboxylate.
What is the SMILES notation for ethyl 4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline-7-carboxylate?
The canonical SMILES for ethyl 4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline-7-carboxylate is CCOC(=O)c1ccc2c(c1)nc(C)c1nnc(-c3ccccc3)n12.
What is the InChIKey of ethyl 4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline-7-carboxylate?
The InChIKey is SKEZDIOVBYJCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-3-25-19(24)14-9-10-16-15(11-14)20-12(2)17-21-22-18(23(16)17)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3.
What are the key properties of ethyl 4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline-7-carboxylate?
ethyl 4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline-7-carboxylate has a molecular weight of 332.36 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline-7-carboxylate is sourced from PubChem (CID 71151966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).