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

C19H18FN3O3 — CID 113195747

IUPACN-benzyl-N-ethyl-2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetamide
SMILESCCN(Cc1ccccc1)C(=O)Cn1c(=O)c(=O)[nH]c2cc(F)ccc21
InChIInChI=1S/C19H18FN3O3/c1-2-22(11-13-6-4-3-5-7-13)17(24)12-23-16-9-8-14(20)10-15(16)21-18(25)19(23)26/h3-10H,2,11-12H2,1H3,(H,21,25)
InChIKeyUJBMYFKLCKJADV-UHFFFAOYSA-N
MW355.37 g/mol
LogP1.88
Rot. Bonds5

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

N-benzyl-N-ethyl-2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetamide (PubChem CID 113195747) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetamide
PubChem CID113195747
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC NameN-benzyl-N-ethyl-2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetamide
SMILESCCN(Cc1ccccc1)C(=O)Cn1c(=O)c(=O)[nH]c2cc(F)ccc21
InChIInChI=1S/C19H18FN3O3/c1-2-22(11-13-6-4-3-5-7-13)17(24)12-23-16-9-8-14(20)10-15(16)21-18(25)19(23)26/h3-10H,2,11-12H2,1H3,(H,21,25)
InChIKeyUJBMYFKLCKJADV-UHFFFAOYSA-N
XLogP1.88
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-ethyl-2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 95917512
2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 113195807
2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-(3-methylbutyl)acetamide
CID 113195779
N-ethyl-N-[(3-fluorophenyl)methyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 31977722
N-benzyl-N-ethyl-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 18099217
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 9072690
N-(3-chloro-2-methylphenyl)-2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetamide
CID 113195817
4-[2-(dimethylsulfamoylamino)ethyl]-7-fluoro-2,3-dioxo-1H-quinoxaline
CID 113092163
N-benzyl-N-methyl-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 46356937
N-ethyl-N-[(3-fluorophenyl)methyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide
CID 18116113
2-[(1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbonyl)-methylamino]acetic acid
CID 119346233
2-(2-amino-4-ethyl-6-oxopyrimidin-1-yl)-N-benzyl-N-ethylacetamide
CID 53201643

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetamide?
The IUPAC name of N-benzyl-N-ethyl-2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetamide (CID 113195747) is N-benzyl-N-ethyl-2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetamide?
The canonical SMILES for N-benzyl-N-ethyl-2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetamide is CCN(Cc1ccccc1)C(=O)Cn1c(=O)c(=O)[nH]c2cc(F)ccc21.
What is the InChIKey of N-benzyl-N-ethyl-2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetamide?
The InChIKey is UJBMYFKLCKJADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-2-22(11-13-6-4-3-5-7-13)17(24)12-23-16-9-8-14(20)10-15(16)21-18(25)19(23)26/h3-10H,2,11-12H2,1H3,(H,21,25).
What are the key properties of N-benzyl-N-ethyl-2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetamide?
N-benzyl-N-ethyl-2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetamide has a molecular weight of 355.37 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetamide is sourced from PubChem (CID 113195747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).