2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-(3-methylbutyl)acetamide

C15H18FN3O3 — CID 113195779

IUPAC2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)Cn1c(=O)c(=O)[nH]c2cc(F)ccc21
InChIInChI=1S/C15H18FN3O3/c1-9(2)5-6-17-13(20)8-19-12-4-3-10(16)7-11(12)18-14(21)15(19)22/h3-4,7,9H,5-6,8H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyACUNYFIPWXBKAC-UHFFFAOYSA-N
MW307.32 g/mol
LogP0.99
Rot. Bonds5

About 2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-(3-methylbutyl)acetamide

2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-(3-methylbutyl)acetamide (PubChem CID 113195779) has the molecular formula C15H18FN3O3 and a molecular weight of 307.32 g/mol. Its IUPAC name is 2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-(3-methylbutyl)acetamide
PubChem CID113195779
Molecular FormulaC15H18FN3O3
Molecular Weight307.32 g/mol
Exact Mass307.13
IUPAC Name2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)Cn1c(=O)c(=O)[nH]c2cc(F)ccc21
InChIInChI=1S/C15H18FN3O3/c1-9(2)5-6-17-13(20)8-19-12-4-3-10(16)7-11(12)18-14(21)15(19)22/h3-4,7,9H,5-6,8H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyACUNYFIPWXBKAC-UHFFFAOYSA-N
XLogP0.99
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 50.99
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

N-[2-(cyclohexen-1-yl)ethyl]-2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetamide
CID 113195721
2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 113195740
2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 113195807
N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-3-methylbutanamide
CID 113092201
2-(5-fluoro-2-sulfanylidene-3H-benzimidazol-1-yl)-N-propylacetamide
CID 43661139
N-(3-chloro-2-methylphenyl)-2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetamide
CID 113195817
7-fluoro-4-propyl-1H-quinoxaline-2,3-dione
CID 10680528
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methylbutyl)acetamide
CID 4064970
2,3,4-trifluoro-N-[2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)ethyl]benzamide
CID 113092143
2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-(4-fluorophenyl)acetamide
CID 113195630
4-[2-(dimethylsulfamoylamino)ethyl]-7-fluoro-2,3-dioxo-1H-quinoxaline
CID 113092163
N-benzyl-N-ethyl-2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetamide
CID 113195747

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-(3-methylbutyl)acetamide (CID 113195779) is 2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)Cn1c(=O)c(=O)[nH]c2cc(F)ccc21.
What is the InChIKey of 2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-(3-methylbutyl)acetamide?
The InChIKey is ACUNYFIPWXBKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O3/c1-9(2)5-6-17-13(20)8-19-12-4-3-10(16)7-11(12)18-14(21)15(19)22/h3-4,7,9H,5-6,8H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of 2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-(3-methylbutyl)acetamide?
2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-(3-methylbutyl)acetamide has a molecular weight of 307.32 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 113195779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).