9-methoxy-4-methyl-1-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxaline

C18H16N4O — CID 71295521

IUPAC9-methoxy-4-methyl-1-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCOc1cccc2nc(C)c3nnc(-c4ccccc4C)n3c12
InChIInChI=1S/C18H16N4O/c1-11-7-4-5-8-13(11)18-21-20-17-12(2)19-14-9-6-10-15(23-3)16(14)22(17)18/h4-10H,1-3H3
InChIKeyYOSBZCWAVFASSC-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.57
Rot. Bonds2

About 9-methoxy-4-methyl-1-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxaline

9-methoxy-4-methyl-1-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 71295521) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 9-methoxy-4-methyl-1-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name9-methoxy-4-methyl-1-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID71295521
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name9-methoxy-4-methyl-1-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCOc1cccc2nc(C)c3nnc(-c4ccccc4C)n3c12
InChIInChI=1S/C18H16N4O/c1-11-7-4-5-8-13(11)18-21-20-17-12(2)19-14-9-6-10-15(23-3)16(14)22(17)18/h4-10H,1-3H3
InChIKeyYOSBZCWAVFASSC-UHFFFAOYSA-N
XLogP3.57
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-4-methyl-1-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 9-methoxy-4-methyl-1-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxaline (CID 71295521) is 9-methoxy-4-methyl-1-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 9-methoxy-4-methyl-1-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 9-methoxy-4-methyl-1-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxaline is COc1cccc2nc(C)c3nnc(-c4ccccc4C)n3c12.
What is the InChIKey of 9-methoxy-4-methyl-1-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is YOSBZCWAVFASSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-11-7-4-5-8-13(11)18-21-20-17-12(2)19-14-9-6-10-15(23-3)16(14)22(17)18/h4-10H,1-3H3.
What are the key properties of 9-methoxy-4-methyl-1-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxaline?
9-methoxy-4-methyl-1-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 304.35 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-4-methyl-1-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 71295521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).