2-amino-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone

C11H14FN3O — CID 119899727

IUPAC2-amino-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone
SMILESCN1CCN(C(=O)CN)c2ccc(F)cc21
InChIInChI=1S/C11H14FN3O/c1-14-4-5-15(11(16)7-13)9-3-2-8(12)6-10(9)14/h2-3,6H,4-5,7,13H2,1H3
InChIKeyAVUOTQNKKIUEDZ-UHFFFAOYSA-N
MW223.25 g/mol
LogP0.57
Rot. Bonds1

About 2-amino-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone

2-amino-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone (PubChem CID 119899727) has the molecular formula C11H14FN3O and a molecular weight of 223.25 g/mol. Its IUPAC name is 2-amino-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone
PubChem CID119899727
Molecular FormulaC11H14FN3O
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC Name2-amino-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone
SMILESCN1CCN(C(=O)CN)c2ccc(F)cc21
InChIInChI=1S/C11H14FN3O/c1-14-4-5-15(11(16)7-13)9-3-2-8(12)6-10(9)14/h2-3,6H,4-5,7,13H2,1H3
InChIKeyAVUOTQNKKIUEDZ-UHFFFAOYSA-N
XLogP0.57
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one
CID 119899739
7-amino-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)heptan-1-one;dihydrochloride
CID 119899696
1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(1-hydroxycyclohexyl)ethanone
CID 111540753
3-(2-aminophenyl)-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one
CID 120613481
2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103796139
2-amino-1-(5,7-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)ethanone
CID 84627523
1-(2-aminoacetyl)-5-methyl-3,4-dihydro-2H-1,5-benzodiazepine-7-carboxylic acid
CID 84639195
1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-4-pyridin-2-ylbutan-1-one
CID 71993544
(3-aminocyclopentyl)-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 119899709
2-amino-1-(7-fluoro-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
CID 84629693
4-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)butanoic acid
CID 119994278
1,3-dithiolan-2-yl-(7-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 122133504

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone?
The IUPAC name of 2-amino-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone (CID 119899727) is 2-amino-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone.
What is the SMILES notation for 2-amino-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone?
The canonical SMILES for 2-amino-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone is CN1CCN(C(=O)CN)c2ccc(F)cc21.
What is the InChIKey of 2-amino-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone?
The InChIKey is AVUOTQNKKIUEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O/c1-14-4-5-15(11(16)7-13)9-3-2-8(12)6-10(9)14/h2-3,6H,4-5,7,13H2,1H3.
What are the key properties of 2-amino-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone?
2-amino-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone has a molecular weight of 223.25 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone is sourced from PubChem (CID 119899727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).