8-methoxy-5-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-one

C17H14N4O2 — CID 70501466

IUPAC8-methoxy-5-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
SMILESCOc1ccc2c(c1)n1c(-c3ccccc3)nnc1c(=O)n2C
InChIInChI=1S/C17H14N4O2/c1-20-13-9-8-12(23-2)10-14(13)21-15(11-6-4-3-5-7-11)18-19-16(21)17(20)22/h3-10H,1-2H3
InChIKeyBXGVFDPUHLHQRY-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.26
Rot. Bonds2

About 8-methoxy-5-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-one

8-methoxy-5-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-one (PubChem CID 70501466) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 8-methoxy-5-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-one.

Molecular Properties

Compound Name8-methoxy-5-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
PubChem CID70501466
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name8-methoxy-5-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
SMILESCOc1ccc2c(c1)n1c(-c3ccccc3)nnc1c(=O)n2C
InChIInChI=1S/C17H14N4O2/c1-20-13-9-8-12(23-2)10-14(13)21-15(11-6-4-3-5-7-11)18-19-16(21)17(20)22/h3-10H,1-2H3
InChIKeyBXGVFDPUHLHQRY-UHFFFAOYSA-N
XLogP2.26
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-5-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The IUPAC name of 8-methoxy-5-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-one (CID 70501466) is 8-methoxy-5-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-one.
What is the SMILES notation for 8-methoxy-5-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The canonical SMILES for 8-methoxy-5-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-one is COc1ccc2c(c1)n1c(-c3ccccc3)nnc1c(=O)n2C.
What is the InChIKey of 8-methoxy-5-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The InChIKey is BXGVFDPUHLHQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-20-13-9-8-12(23-2)10-14(13)21-15(11-6-4-3-5-7-11)18-19-16(21)17(20)22/h3-10H,1-2H3.
What are the key properties of 8-methoxy-5-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
8-methoxy-5-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-one has a molecular weight of 306.33 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-5-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-one is sourced from PubChem (CID 70501466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).