phenyl-(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)methanone

C22H14N4O — CID 46946079

IUPACphenyl-(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)methanone
SMILESO=C(c1ccccc1)c1nc2ccccc2n2c(-c3ccccc3)nnc12
InChIInChI=1S/C22H14N4O/c27-20(15-9-3-1-4-10-15)19-22-25-24-21(16-11-5-2-6-12-16)26(22)18-14-8-7-13-17(18)23-19/h1-14H
InChIKeyLUNLJDDDZUHJRI-UHFFFAOYSA-N
MW350.38 g/mol
LogP4.18
Rot. Bonds3

About phenyl-(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)methanone

phenyl-(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)methanone (PubChem CID 46946079) has the molecular formula C22H14N4O and a molecular weight of 350.38 g/mol. Its IUPAC name is phenyl-(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)methanone.

Molecular Properties

Compound Namephenyl-(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)methanone
PubChem CID46946079
Molecular FormulaC22H14N4O
Molecular Weight350.38 g/mol
Exact Mass350.12
IUPAC Namephenyl-(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)methanone
SMILESO=C(c1ccccc1)c1nc2ccccc2n2c(-c3ccccc3)nnc12
InChIInChI=1S/C22H14N4O/c27-20(15-9-3-1-4-10-15)19-22-25-24-21(16-11-5-2-6-12-16)26(22)18-14-8-7-13-17(18)23-19/h1-14H
InChIKeyLUNLJDDDZUHJRI-UHFFFAOYSA-N
XLogP4.18
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-Benzyl-4-Methyl-1-Phenyl[1,2,4]triazolo[4,3-A]quinoxaline-8-Carboxamide
CID 71153223
1-[3-([1,2,4]Triazolo[4,3-a]quinoxalin-4-ylamino)phenyl]ethanone
CID 5295760
1-Methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 399097
7-[2-(Dimethylamino)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455582
1-{4-[(8-Methyl[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]phenyl}ethanone
CID 22431375
7,9-dimethyl-11-(3-methylphenyl)pyrimido[4',5':3,4]pyrrolo[2,1-c][1,2,4]benzotriazine-8,10(7H,9H)-dione
CID 1086995
US11028090, Example 11
CID 142746158
1-phenyl-3-[2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]benzimidazol-1-yl]propan-1-one
CID 5945828
3-methyl-1-phenyl-7,8-dihydro-6H-pyrazolo[3,4-b]quinolin-5-one
CID 2377208
1-Phenyl-2-[2-(4-phenylpiperazin-1-yl)benzimidazol-1-yl]ethanone
CID 2997777
1-{8-Benzoyl-[1,2,4]triazolo[4,3-A]quinoxalin-4-YL}-4-phenylpiperazine
CID 15989801
{4-[4-(4-Fluorophenyl)piperazin-1-yl][1,2,4]triazolo[4,3-a]quinoxalin-8-yl}(phenyl)methanone
CID 15989845

Frequently Asked Questions

What is the IUPAC name of phenyl-(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)methanone?
The IUPAC name of phenyl-(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)methanone (CID 46946079) is phenyl-(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)methanone.
What is the SMILES notation for phenyl-(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)methanone?
The canonical SMILES for phenyl-(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)methanone is O=C(c1ccccc1)c1nc2ccccc2n2c(-c3ccccc3)nnc12.
What is the InChIKey of phenyl-(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)methanone?
The InChIKey is LUNLJDDDZUHJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4O/c27-20(15-9-3-1-4-10-15)19-22-25-24-21(16-11-5-2-6-12-16)26(22)18-14-8-7-13-17(18)23-19/h1-14H.
What are the key properties of phenyl-(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)methanone?
phenyl-(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)methanone has a molecular weight of 350.38 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)methanone is sourced from PubChem (CID 46946079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).