2-(6,7-difluoro-2-oxo-3,4-dihydroquinoxalin-1-yl)-N-(furan-2-ylmethyl)acetamide

C15H13F2N3O3 — CID 94765439

IUPAC2-(6,7-difluoro-2-oxo-3,4-dihydroquinoxalin-1-yl)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN1C(=O)CNc2cc(F)c(F)cc21)NCc1ccco1
InChIInChI=1S/C15H13F2N3O3/c16-10-4-12-13(5-11(10)17)20(15(22)7-18-12)8-14(21)19-6-9-2-1-3-23-9/h1-5,18H,6-8H2,(H,19,21)
InChIKeyNYHUCUMROUKZSH-UHFFFAOYSA-N
MW321.28 g/mol
LogP1.63
Rot. Bonds4

About 2-(6,7-difluoro-2-oxo-3,4-dihydroquinoxalin-1-yl)-N-(furan-2-ylmethyl)acetamide

2-(6,7-difluoro-2-oxo-3,4-dihydroquinoxalin-1-yl)-N-(furan-2-ylmethyl)acetamide (PubChem CID 94765439) has the molecular formula C15H13F2N3O3 and a molecular weight of 321.28 g/mol. Its IUPAC name is 2-(6,7-difluoro-2-oxo-3,4-dihydroquinoxalin-1-yl)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(6,7-difluoro-2-oxo-3,4-dihydroquinoxalin-1-yl)-N-(furan-2-ylmethyl)acetamide
PubChem CID94765439
Molecular FormulaC15H13F2N3O3
Molecular Weight321.28 g/mol
Exact Mass321.09
IUPAC Name2-(6,7-difluoro-2-oxo-3,4-dihydroquinoxalin-1-yl)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN1C(=O)CNc2cc(F)c(F)cc21)NCc1ccco1
InChIInChI=1S/C15H13F2N3O3/c16-10-4-12-13(5-11(10)17)20(15(22)7-18-12)8-14(21)19-6-9-2-1-3-23-9/h1-5,18H,6-8H2,(H,19,21)
InChIKeyNYHUCUMROUKZSH-UHFFFAOYSA-N
XLogP1.63
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.28
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 17034773
N-cyclohexyl-2-(6,7-difluoro-2-oxo-3,4-dihydroquinoxalin-1-yl)acetamide
CID 82157587
N-(furan-2-ylmethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 112779007
2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)acetamide
CID 113201627
N-(furan-2-ylmethyl)-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzoxazin-4-yl]acetamide
CID 53053398
2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)acetamide
CID 42814442
2-(6-ethyl-2-oxothieno[2,3-b][1,4]thiazin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 20974369
N-(furan-2-ylmethyl)-2-[(2S)-2-(furan-2-yl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide
CID 51409437
2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 4804760
2-[(1S,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 7272858
N-benzyl-4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide
CID 22579787
2-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 34241212

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-difluoro-2-oxo-3,4-dihydroquinoxalin-1-yl)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(6,7-difluoro-2-oxo-3,4-dihydroquinoxalin-1-yl)-N-(furan-2-ylmethyl)acetamide (CID 94765439) is 2-(6,7-difluoro-2-oxo-3,4-dihydroquinoxalin-1-yl)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(6,7-difluoro-2-oxo-3,4-dihydroquinoxalin-1-yl)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(6,7-difluoro-2-oxo-3,4-dihydroquinoxalin-1-yl)-N-(furan-2-ylmethyl)acetamide is O=C(CN1C(=O)CNc2cc(F)c(F)cc21)NCc1ccco1.
What is the InChIKey of 2-(6,7-difluoro-2-oxo-3,4-dihydroquinoxalin-1-yl)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is NYHUCUMROUKZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O3/c16-10-4-12-13(5-11(10)17)20(15(22)7-18-12)8-14(21)19-6-9-2-1-3-23-9/h1-5,18H,6-8H2,(H,19,21).
What are the key properties of 2-(6,7-difluoro-2-oxo-3,4-dihydroquinoxalin-1-yl)-N-(furan-2-ylmethyl)acetamide?
2-(6,7-difluoro-2-oxo-3,4-dihydroquinoxalin-1-yl)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 321.28 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-difluoro-2-oxo-3,4-dihydroquinoxalin-1-yl)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 94765439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).