methyl 8-methyl-2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate

C18H16N4O2 — CID 118721212

IUPACmethyl 8-methyl-2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate
SMILESCOC(=O)N1Cc2nc(-c3ccccc3)nn2-c2cc(C)ccc21
InChIInChI=1S/C18H16N4O2/c1-12-8-9-14-15(10-12)22-16(11-21(14)18(23)24-2)19-17(20-22)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChIKeyNUDHQWXWHZRVDW-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.33
Rot. Bonds1

About methyl 8-methyl-2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate

methyl 8-methyl-2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate (PubChem CID 118721212) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is methyl 8-methyl-2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate.

Molecular Properties

Compound Namemethyl 8-methyl-2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate
PubChem CID118721212
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Namemethyl 8-methyl-2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate
SMILESCOC(=O)N1Cc2nc(-c3ccccc3)nn2-c2cc(C)ccc21
InChIInChI=1S/C18H16N4O2/c1-12-8-9-14-15(10-12)22-16(11-21(14)18(23)24-2)19-17(20-22)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChIKeyNUDHQWXWHZRVDW-UHFFFAOYSA-N
XLogP3.33
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 8-methyl-2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate?
The IUPAC name of methyl 8-methyl-2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate (CID 118721212) is methyl 8-methyl-2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate.
What is the SMILES notation for methyl 8-methyl-2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate?
The canonical SMILES for methyl 8-methyl-2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate is COC(=O)N1Cc2nc(-c3ccccc3)nn2-c2cc(C)ccc21.
What is the InChIKey of methyl 8-methyl-2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate?
The InChIKey is NUDHQWXWHZRVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-12-8-9-14-15(10-12)22-16(11-21(14)18(23)24-2)19-17(20-22)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3.
What are the key properties of methyl 8-methyl-2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate?
methyl 8-methyl-2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate has a molecular weight of 320.35 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-methyl-2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate is sourced from PubChem (CID 118721212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).