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

C17H13ClN4O — CID 71295652

IUPAC1-(2-chlorophenyl)-9-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCOc1cccc2nc(C)c3nnc(-c4ccccc4Cl)n3c12
InChIInChI=1S/C17H13ClN4O/c1-10-16-20-21-17(11-6-3-4-7-12(11)18)22(16)15-13(19-10)8-5-9-14(15)23-2/h3-9H,1-2H3
InChIKeyMGVXODADYYKJPQ-UHFFFAOYSA-N
MW324.77 g/mol
LogP3.91
Rot. Bonds2

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

1-(2-chlorophenyl)-9-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 71295652) has the molecular formula C17H13ClN4O and a molecular weight of 324.77 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-9-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name1-(2-chlorophenyl)-9-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID71295652
Molecular FormulaC17H13ClN4O
Molecular Weight324.77 g/mol
Exact Mass324.08
IUPAC Name1-(2-chlorophenyl)-9-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCOc1cccc2nc(C)c3nnc(-c4ccccc4Cl)n3c12
InChIInChI=1S/C17H13ClN4O/c1-10-16-20-21-17(11-6-3-4-7-12(11)18)22(16)15-13(19-10)8-5-9-14(15)23-2/h3-9H,1-2H3
InChIKeyMGVXODADYYKJPQ-UHFFFAOYSA-N
XLogP3.91
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-9-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 1-(2-chlorophenyl)-9-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline (CID 71295652) is 1-(2-chlorophenyl)-9-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 1-(2-chlorophenyl)-9-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 1-(2-chlorophenyl)-9-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline is COc1cccc2nc(C)c3nnc(-c4ccccc4Cl)n3c12.
What is the InChIKey of 1-(2-chlorophenyl)-9-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is MGVXODADYYKJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O/c1-10-16-20-21-17(11-6-3-4-7-12(11)18)22(16)15-13(19-10)8-5-9-14(15)23-2/h3-9H,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-9-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline?
1-(2-chlorophenyl)-9-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 324.77 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-9-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 71295652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).