3-[1-(2-chlorophenyl)-5-oxo-4H-1,2,4-triazol-3-yl]-1H-quinoxalin-2-one

C16H10ClN5O2 — CID 135818479

IUPAC3-[1-(2-chlorophenyl)-5-oxo-4H-1,2,4-triazol-3-yl]-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1-c1nn(-c2ccccc2Cl)c(=O)[nH]1
InChIInChI=1S/C16H10ClN5O2/c17-9-5-1-4-8-12(9)22-16(24)20-14(21-22)13-15(23)19-11-7-3-2-6-10(11)18-13/h1-8H,(H,19,23)(H,20,21,24)
InChIKeyFOVRNARLSAEZQP-UHFFFAOYSA-N
MW339.74 g/mol
LogP2.12
Rot. Bonds2

About 3-[1-(2-chlorophenyl)-5-oxo-4H-1,2,4-triazol-3-yl]-1H-quinoxalin-2-one

3-[1-(2-chlorophenyl)-5-oxo-4H-1,2,4-triazol-3-yl]-1H-quinoxalin-2-one (PubChem CID 135818479) has the molecular formula C16H10ClN5O2 and a molecular weight of 339.74 g/mol. Its IUPAC name is 3-[1-(2-chlorophenyl)-5-oxo-4H-1,2,4-triazol-3-yl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[1-(2-chlorophenyl)-5-oxo-4H-1,2,4-triazol-3-yl]-1H-quinoxalin-2-one
PubChem CID135818479
Molecular FormulaC16H10ClN5O2
Molecular Weight339.74 g/mol
Exact Mass339.05
IUPAC Name3-[1-(2-chlorophenyl)-5-oxo-4H-1,2,4-triazol-3-yl]-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1-c1nn(-c2ccccc2Cl)c(=O)[nH]1
InChIInChI=1S/C16H10ClN5O2/c17-9-5-1-4-8-12(9)22-16(24)20-14(21-22)13-15(23)19-11-7-3-2-6-10(11)18-13/h1-8H,(H,19,23)(H,20,21,24)
InChIKeyFOVRNARLSAEZQP-UHFFFAOYSA-N
XLogP2.12
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.74
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(1H-benzimidazol-2-yl)ethyl]-4-(2-chlorophenyl)-1H-1,2,4-triazol-5-one
CID 56723522
3-(5-chloro-1H-indol-3-yl)-1H-quinoxalin-2-one
CID 137302524
3-(2-methyl-1,2,4-triazol-3-yl)-1H-quinoxalin-2-one
CID 137079359
3-(1H-pyrazol-4-yl)-1H-quinoxalin-2-one
CID 14739100
3-(3,6-dimethyl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-yl)-1H-quinoxalin-2-one
CID 135818382
3-(1H-benzimidazol-2-yl)-4-pyrrolidin-1-yl-1H-quinolin-2-one
CID 135464161
3-(3-bromophenyl)-1H-quinoxalin-2-one
CID 11738152
2-(2-benzyl-5-phenyltriazol-4-yl)-1H-benzimidazole
CID 139193786
3-(3-phenyl-1H-pyrazol-5-yl)-1H-quinoxalin-2-one
CID 135585445
2-[2-(3-chloro-2-pyridinyl)phenyl]-1H-benzimidazole
CID 129162881
2-[2-(2,3-dichlorophenyl)phenyl]-1H-benzimidazole
CID 134336861
2-(2,4-dichloro-3-pyridinyl)-1H-benzimidazole
CID 129318090

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chlorophenyl)-5-oxo-4H-1,2,4-triazol-3-yl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[1-(2-chlorophenyl)-5-oxo-4H-1,2,4-triazol-3-yl]-1H-quinoxalin-2-one (CID 135818479) is 3-[1-(2-chlorophenyl)-5-oxo-4H-1,2,4-triazol-3-yl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[1-(2-chlorophenyl)-5-oxo-4H-1,2,4-triazol-3-yl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[1-(2-chlorophenyl)-5-oxo-4H-1,2,4-triazol-3-yl]-1H-quinoxalin-2-one is O=c1[nH]c2ccccc2nc1-c1nn(-c2ccccc2Cl)c(=O)[nH]1.
What is the InChIKey of 3-[1-(2-chlorophenyl)-5-oxo-4H-1,2,4-triazol-3-yl]-1H-quinoxalin-2-one?
The InChIKey is FOVRNARLSAEZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN5O2/c17-9-5-1-4-8-12(9)22-16(24)20-14(21-22)13-15(23)19-11-7-3-2-6-10(11)18-13/h1-8H,(H,19,23)(H,20,21,24).
What are the key properties of 3-[1-(2-chlorophenyl)-5-oxo-4H-1,2,4-triazol-3-yl]-1H-quinoxalin-2-one?
3-[1-(2-chlorophenyl)-5-oxo-4H-1,2,4-triazol-3-yl]-1H-quinoxalin-2-one has a molecular weight of 339.74 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chlorophenyl)-5-oxo-4H-1,2,4-triazol-3-yl]-1H-quinoxalin-2-one is sourced from PubChem (CID 135818479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).