2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-(4-fluorophenyl)acetamide

C16H12FN3O3 — CID 113195630

IUPAC2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-(4-fluorophenyl)acetamide
SMILESO=C(Cn1c(=O)c(=O)[nH]c2ccccc21)Nc1ccc(F)cc1
InChIInChI=1S/C16H12FN3O3/c17-10-5-7-11(8-6-10)18-14(21)9-20-13-4-2-1-3-12(13)19-15(22)16(20)23/h1-8H,9H2,(H,18,21)(H,19,22)
InChIKeyDCUJABIWLXNCBR-UHFFFAOYSA-N
MW313.29 g/mol
LogP1.47
Rot. Bonds3

About 2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-(4-fluorophenyl)acetamide

2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-(4-fluorophenyl)acetamide (PubChem CID 113195630) has the molecular formula C16H12FN3O3 and a molecular weight of 313.29 g/mol. Its IUPAC name is 2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-(4-fluorophenyl)acetamide
PubChem CID113195630
Molecular FormulaC16H12FN3O3
Molecular Weight313.29 g/mol
Exact Mass313.09
IUPAC Name2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-(4-fluorophenyl)acetamide
SMILESO=C(Cn1c(=O)c(=O)[nH]c2ccccc21)Nc1ccc(F)cc1
InChIInChI=1S/C16H12FN3O3/c17-10-5-7-11(8-6-10)18-14(21)9-20-13-4-2-1-3-12(13)19-15(22)16(20)23/h1-8H,9H2,(H,18,21)(H,19,22)
InChIKeyDCUJABIWLXNCBR-UHFFFAOYSA-N
XLogP1.47
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 113195705
N-(3-cyanophenyl)-2-(2,3-dioxo-4H-quinoxalin-1-yl)acetamide
CID 113195702
2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 113195549
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 110396431
N-(4-methoxyphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195258
N-(4-fluorophenyl)-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502404
N-[4-(diethylamino)-2-methylphenyl]-2-(2,3-dioxo-4H-quinoxalin-1-yl)acetamide
CID 113195699
N-(4-ethoxyphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195260
2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 113195740
N-(3-chloro-2-methylphenyl)-2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetamide
CID 113195817
4-[2-(azepan-1-yl)-2-oxoethyl]-1H-quinoxaline-2,3-dione
CID 113195604
2-(2,4-dioxo-3-pentylquinazolin-1-yl)-N-(4-fluorophenyl)acetamide
CID 46860909

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-(4-fluorophenyl)acetamide (CID 113195630) is 2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-(4-fluorophenyl)acetamide is O=C(Cn1c(=O)c(=O)[nH]c2ccccc21)Nc1ccc(F)cc1.
What is the InChIKey of 2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-(4-fluorophenyl)acetamide?
The InChIKey is DCUJABIWLXNCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O3/c17-10-5-7-11(8-6-10)18-14(21)9-20-13-4-2-1-3-12(13)19-15(22)16(20)23/h1-8H,9H2,(H,18,21)(H,19,22).
What are the key properties of 2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-(4-fluorophenyl)acetamide?
2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-(4-fluorophenyl)acetamide has a molecular weight of 313.29 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 113195630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).