2-phenyl-4-phenylmethoxy-[1,2,4]triazolo[4,3-a]quinoxalin-1-one

C22H16N4O2 — CID 44586297

IUPAC2-phenyl-4-phenylmethoxy-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
SMILESO=c1n(-c2ccccc2)nc2c(OCc3ccccc3)nc3ccccc3n12
InChIInChI=1S/C22H16N4O2/c27-22-25-19-14-8-7-13-18(19)23-21(28-15-16-9-3-1-4-10-16)20(25)24-26(22)17-11-5-2-6-12-17/h1-14H,15H2
InChIKeyOJGDXIRWEDPHFM-UHFFFAOYSA-N
MW368.40 g/mol
LogP3.61
Rot. Bonds4

About 2-phenyl-4-phenylmethoxy-[1,2,4]triazolo[4,3-a]quinoxalin-1-one

2-phenyl-4-phenylmethoxy-[1,2,4]triazolo[4,3-a]quinoxalin-1-one (PubChem CID 44586297) has the molecular formula C22H16N4O2 and a molecular weight of 368.40 g/mol. Its IUPAC name is 2-phenyl-4-phenylmethoxy-[1,2,4]triazolo[4,3-a]quinoxalin-1-one.

Molecular Properties

Compound Name2-phenyl-4-phenylmethoxy-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
PubChem CID44586297
Molecular FormulaC22H16N4O2
Molecular Weight368.40 g/mol
Exact Mass368.13
IUPAC Name2-phenyl-4-phenylmethoxy-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
SMILESO=c1n(-c2ccccc2)nc2c(OCc3ccccc3)nc3ccccc3n12
InChIInChI=1S/C22H16N4O2/c27-22-25-19-14-8-7-13-18(19)23-21(28-15-16-9-3-1-4-10-16)20(25)24-26(22)17-11-5-2-6-12-17/h1-14H,15H2
InChIKeyOJGDXIRWEDPHFM-UHFFFAOYSA-N
XLogP3.61
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-phenylmethoxy-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The IUPAC name of 2-phenyl-4-phenylmethoxy-[1,2,4]triazolo[4,3-a]quinoxalin-1-one (CID 44586297) is 2-phenyl-4-phenylmethoxy-[1,2,4]triazolo[4,3-a]quinoxalin-1-one.
What is the SMILES notation for 2-phenyl-4-phenylmethoxy-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The canonical SMILES for 2-phenyl-4-phenylmethoxy-[1,2,4]triazolo[4,3-a]quinoxalin-1-one is O=c1n(-c2ccccc2)nc2c(OCc3ccccc3)nc3ccccc3n12.
What is the InChIKey of 2-phenyl-4-phenylmethoxy-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The InChIKey is OJGDXIRWEDPHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O2/c27-22-25-19-14-8-7-13-18(19)23-21(28-15-16-9-3-1-4-10-16)20(25)24-26(22)17-11-5-2-6-12-17/h1-14H,15H2.
What are the key properties of 2-phenyl-4-phenylmethoxy-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
2-phenyl-4-phenylmethoxy-[1,2,4]triazolo[4,3-a]quinoxalin-1-one has a molecular weight of 368.40 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-phenylmethoxy-[1,2,4]triazolo[4,3-a]quinoxalin-1-one is sourced from PubChem (CID 44586297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).