1-(8-fluoro-3,4-dihydro-2H-quinoxalin-1-yl)ethanone

C10H11FN2O — CID 82401372

IUPAC1-(8-fluoro-3,4-dihydro-2H-quinoxalin-1-yl)ethanone
SMILESCC(=O)N1CCNc2cccc(F)c21
InChIInChI=1S/C10H11FN2O/c1-7(14)13-6-5-12-9-4-2-3-8(11)10(9)13/h2-4,12H,5-6H2,1H3
InChIKeyWSIFLUHLZXASBK-UHFFFAOYSA-N
MW194.21 g/mol
LogP1.60
Rot. Bonds

About 1-(8-fluoro-3,4-dihydro-2H-quinoxalin-1-yl)ethanone

1-(8-fluoro-3,4-dihydro-2H-quinoxalin-1-yl)ethanone (PubChem CID 82401372) has the molecular formula C10H11FN2O and a molecular weight of 194.21 g/mol. Its IUPAC name is 1-(8-fluoro-3,4-dihydro-2H-quinoxalin-1-yl)ethanone.

Molecular Properties

Compound Name1-(8-fluoro-3,4-dihydro-2H-quinoxalin-1-yl)ethanone
PubChem CID82401372
Molecular FormulaC10H11FN2O
Molecular Weight194.21 g/mol
Exact Mass194.09
IUPAC Name1-(8-fluoro-3,4-dihydro-2H-quinoxalin-1-yl)ethanone
SMILESCC(=O)N1CCNc2cccc(F)c21
InChIInChI=1S/C10H11FN2O/c1-7(14)13-6-5-12-9-4-2-3-8(11)10(9)13/h2-4,12H,5-6H2,1H3
InChIKeyWSIFLUHLZXASBK-UHFFFAOYSA-N
XLogP1.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-ethyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)ethanone
CID 84623033
1-(6-fluoro-2,3,4,5-tetrahydro-1,5-benzodiazepin-1-yl)ethanone
CID 82395402
1-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)ethanone
CID 12858798
2-(1-acetyl-9-fluoro-2,3,4,5-tetrahydro-1-benzazepin-5-yl)acetic acid
CID 82624858
tert-butyl 9-fluoro-5-oxo-3,4-dihydro-2H-1,4-benzodiazepine-1-carboxylate
CID 67000016
1-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)ethanone
CID 82380827
1-(1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepin-5-yl)ethanone
CID 82403408
1-[9-fluoro-5-[hydroxy(methyl)amino]-5-methyl-3,4-dihydro-2H-1-benzazepin-1-yl]ethanone
CID 82625047
8-fluoro-1-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 84621075
1-[3-fluoro-2-(4-propan-2-ylpiperidin-1-yl)phenyl]ethanone
CID 114058496
4-acetyl-2,3-dihydro-1H-thieno[2,3-b]pyrazine-6-carboxylic acid
CID 82376637
(2-fluorophenyl)-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)methanone
CID 122176045

Frequently Asked Questions

What is the IUPAC name of 1-(8-fluoro-3,4-dihydro-2H-quinoxalin-1-yl)ethanone?
The IUPAC name of 1-(8-fluoro-3,4-dihydro-2H-quinoxalin-1-yl)ethanone (CID 82401372) is 1-(8-fluoro-3,4-dihydro-2H-quinoxalin-1-yl)ethanone.
What is the SMILES notation for 1-(8-fluoro-3,4-dihydro-2H-quinoxalin-1-yl)ethanone?
The canonical SMILES for 1-(8-fluoro-3,4-dihydro-2H-quinoxalin-1-yl)ethanone is CC(=O)N1CCNc2cccc(F)c21.
What is the InChIKey of 1-(8-fluoro-3,4-dihydro-2H-quinoxalin-1-yl)ethanone?
The InChIKey is WSIFLUHLZXASBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O/c1-7(14)13-6-5-12-9-4-2-3-8(11)10(9)13/h2-4,12H,5-6H2,1H3.
What are the key properties of 1-(8-fluoro-3,4-dihydro-2H-quinoxalin-1-yl)ethanone?
1-(8-fluoro-3,4-dihydro-2H-quinoxalin-1-yl)ethanone has a molecular weight of 194.21 g/mol, XLogP of 1.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-fluoro-3,4-dihydro-2H-quinoxalin-1-yl)ethanone is sourced from PubChem (CID 82401372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).