1-[6-bromo-2-(fluoromethyl)-4-(furan-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone

C16H14BrFN2O3 — CID 118079592

IUPAC1-[6-bromo-2-(fluoromethyl)-4-(furan-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone
SMILESCC(=O)N1c2ccc(Br)cc2N(C(=O)c2ccco2)CC1CF
InChIInChI=1S/C16H14BrFN2O3/c1-10(21)20-12(8-18)9-19(16(22)15-3-2-6-23-15)14-7-11(17)4-5-13(14)20/h2-7,12H,8-9H2,1H3
InChIKeyUKACGBAAPGYXKU-UHFFFAOYSA-N
MW381.20 g/mol
LogP3.39
Rot. Bonds2

About 1-[6-bromo-2-(fluoromethyl)-4-(furan-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone

1-[6-bromo-2-(fluoromethyl)-4-(furan-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone (PubChem CID 118079592) has the molecular formula C16H14BrFN2O3 and a molecular weight of 381.20 g/mol. Its IUPAC name is 1-[6-bromo-2-(fluoromethyl)-4-(furan-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone.

Molecular Properties

Compound Name1-[6-bromo-2-(fluoromethyl)-4-(furan-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone
PubChem CID118079592
Molecular FormulaC16H14BrFN2O3
Molecular Weight381.20 g/mol
Exact Mass380.02
IUPAC Name1-[6-bromo-2-(fluoromethyl)-4-(furan-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone
SMILESCC(=O)N1c2ccc(Br)cc2N(C(=O)c2ccco2)CC1CF
InChIInChI=1S/C16H14BrFN2O3/c1-10(21)20-12(8-18)9-19(16(22)15-3-2-6-23-15)14-7-11(17)4-5-13(14)20/h2-7,12H,8-9H2,1H3
InChIKeyUKACGBAAPGYXKU-UHFFFAOYSA-N
XLogP3.39
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.20
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-bromo-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]-2,2,2-trifluoroethanone
CID 118080019
1-[2-ethyl-4-(furan-2-carbonyl)-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118079139
1-[(2S)-6-(4-fluorophenyl)-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118080057
1-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-phenyl-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118079690
1-[6-benzoyl-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
CID 146340626
1-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(pyrrolidine-1-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118079138
1-[(2S)-6-(1-amino-3-sulfanylpropan-2-yl)-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118320967
1-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(1,3-oxazol-2-yl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118078994
1-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118079424
1-[6-(5-fluoropiperidin-3-yl)-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
CID 123983178
1-[(2S)-6-[3-(dimethylamino)phenyl]-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118079242
5-[(2S)-1-acetyl-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-6-yl]-1,3-dimethylbenzimidazol-2-one
CID 118079335

Frequently Asked Questions

What is the IUPAC name of 1-[6-bromo-2-(fluoromethyl)-4-(furan-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone?
The IUPAC name of 1-[6-bromo-2-(fluoromethyl)-4-(furan-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone (CID 118079592) is 1-[6-bromo-2-(fluoromethyl)-4-(furan-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone.
What is the SMILES notation for 1-[6-bromo-2-(fluoromethyl)-4-(furan-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone?
The canonical SMILES for 1-[6-bromo-2-(fluoromethyl)-4-(furan-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone is CC(=O)N1c2ccc(Br)cc2N(C(=O)c2ccco2)CC1CF.
What is the InChIKey of 1-[6-bromo-2-(fluoromethyl)-4-(furan-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone?
The InChIKey is UKACGBAAPGYXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN2O3/c1-10(21)20-12(8-18)9-19(16(22)15-3-2-6-23-15)14-7-11(17)4-5-13(14)20/h2-7,12H,8-9H2,1H3.
What are the key properties of 1-[6-bromo-2-(fluoromethyl)-4-(furan-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone?
1-[6-bromo-2-(fluoromethyl)-4-(furan-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone has a molecular weight of 381.20 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-bromo-2-(fluoromethyl)-4-(furan-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone is sourced from PubChem (CID 118079592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).