2-(4-methoxyphenyl)-4-phenylmethoxy-[1,2,4]triazolo[4,3-a]quinoxalin-1-one

C23H18N4O3 — CID 44586298

IUPAC2-(4-methoxyphenyl)-4-phenylmethoxy-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
SMILESCOc1ccc(-n2nc3c(OCc4ccccc4)nc4ccccc4n3c2=O)cc1
InChIInChI=1S/C23H18N4O3/c1-29-18-13-11-17(12-14-18)27-23(28)26-20-10-6-5-9-19(20)24-22(21(26)25-27)30-15-16-7-3-2-4-8-16/h2-14H,15H2,1H3
InChIKeyYAHXKLDUARWMJJ-UHFFFAOYSA-N
MW398.42 g/mol
LogP3.62
Rot. Bonds5

About 2-(4-methoxyphenyl)-4-phenylmethoxy-[1,2,4]triazolo[4,3-a]quinoxalin-1-one

2-(4-methoxyphenyl)-4-phenylmethoxy-[1,2,4]triazolo[4,3-a]quinoxalin-1-one (PubChem CID 44586298) has the molecular formula C23H18N4O3 and a molecular weight of 398.42 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-phenylmethoxy-[1,2,4]triazolo[4,3-a]quinoxalin-1-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-phenylmethoxy-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
PubChem CID44586298
Molecular FormulaC23H18N4O3
Molecular Weight398.42 g/mol
Exact Mass398.14
IUPAC Name2-(4-methoxyphenyl)-4-phenylmethoxy-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
SMILESCOc1ccc(-n2nc3c(OCc4ccccc4)nc4ccccc4n3c2=O)cc1
InChIInChI=1S/C23H18N4O3/c1-29-18-13-11-17(12-14-18)27-23(28)26-20-10-6-5-9-19(20)24-22(21(26)25-27)30-15-16-7-3-2-4-8-16/h2-14H,15H2,1H3
InChIKeyYAHXKLDUARWMJJ-UHFFFAOYSA-N
XLogP3.62
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-2-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1(2H)-one
CID 10709852
1-(4-Methoxy-phenyl)-3-(1-oxo-2-phenyl-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)-urea
CID 10741090
4-Amino-2-(4-ethoxy-phenyl)-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
CID 11244144
N-(2-(4-methoxyphenyl)-1-oxo-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)-2,2-diphenylacetamide
CID 11511703
N-benzoyl-N-[2-(4-methoxy-phenyl)-1-oxo-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]-benzamide
CID 11533636
4-Benzamido-2-(4-methoxyphenyl)-1,2-dihydro-1,2,4-triazolo[4,3-a]quinoxalin-1-one
CID 11560605
4-Acetamido-2-(4-methoxyphenyl)-1,2-dihydro-1,2,4-triazolo[4,3-a]quinoxalin-1-one
CID 11602711
4-Benzylureido-1,2-dihydro-2-(4-methoxyphenyl)-1,2,4-triazolo[4,3-a]quinoxalin-1-one
CID 44586254
4-(benzyloxy)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1(2H)-one
CID 44586297
8-amino-2-(4-methoxyphenyl)-6-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
CID 137644190
4-[4-(benzyloxy)phenyl]-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 3418247
N-(4-fluorophenyl)-2-(1-oxo-4-(p-tolyloxy)-[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl)acetamide
CID 44117626

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4-phenylmethoxy-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The IUPAC name of 2-(4-methoxyphenyl)-4-phenylmethoxy-[1,2,4]triazolo[4,3-a]quinoxalin-1-one (CID 44586298) is 2-(4-methoxyphenyl)-4-phenylmethoxy-[1,2,4]triazolo[4,3-a]quinoxalin-1-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-phenylmethoxy-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The canonical SMILES for 2-(4-methoxyphenyl)-4-phenylmethoxy-[1,2,4]triazolo[4,3-a]quinoxalin-1-one is COc1ccc(-n2nc3c(OCc4ccccc4)nc4ccccc4n3c2=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4-phenylmethoxy-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The InChIKey is YAHXKLDUARWMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3/c1-29-18-13-11-17(12-14-18)27-23(28)26-20-10-6-5-9-19(20)24-22(21(26)25-27)30-15-16-7-3-2-4-8-16/h2-14H,15H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-4-phenylmethoxy-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
2-(4-methoxyphenyl)-4-phenylmethoxy-[1,2,4]triazolo[4,3-a]quinoxalin-1-one has a molecular weight of 398.42 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4-phenylmethoxy-[1,2,4]triazolo[4,3-a]quinoxalin-1-one is sourced from PubChem (CID 44586298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).