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

C12H16FN3O — CID 119899739

IUPAC3-amino-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one
SMILESCN1CCN(C(=O)CCN)c2ccc(F)cc21
InChIInChI=1S/C12H16FN3O/c1-15-6-7-16(12(17)4-5-14)10-3-2-9(13)8-11(10)15/h2-3,8H,4-7,14H2,1H3
InChIKeyZSVZJZGTKXLACQ-UHFFFAOYSA-N
MW237.28 g/mol
LogP0.96
Rot. Bonds2

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

3-amino-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one (PubChem CID 119899739) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is 3-amino-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one
PubChem CID119899739
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC Name3-amino-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one
SMILESCN1CCN(C(=O)CCN)c2ccc(F)cc21
InChIInChI=1S/C12H16FN3O/c1-15-6-7-16(12(17)4-5-14)10-3-2-9(13)8-11(10)15/h2-3,8H,4-7,14H2,1H3
InChIKeyZSVZJZGTKXLACQ-UHFFFAOYSA-N
XLogP0.96
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone
CID 119899727
7-amino-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)heptan-1-one;dihydrochloride
CID 119899696
3-(2-aminophenyl)-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one
CID 120613481
1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-4-pyridin-2-ylbutan-1-one
CID 71993544
1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(1-hydroxycyclohexyl)ethanone
CID 111540753
(3-aminocyclopentyl)-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 119899709
4-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)butanoic acid
CID 119994278
3-amino-1-(5-fluoro-2-pyrrolidin-1-ylphenyl)propan-1-one
CID 117345021
4-hydroxy-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-one
CID 79192627
2-(3-fluorophenoxy)-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone
CID 110715131
2-bromo-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone
CID 63778569
6-amino-4-ethyl-1-(6-fluoro-2,3-dihydroindol-1-yl)hexan-1-one
CID 103495276

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one?
The IUPAC name of 3-amino-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one (CID 119899739) is 3-amino-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one.
What is the SMILES notation for 3-amino-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one?
The canonical SMILES for 3-amino-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one is CN1CCN(C(=O)CCN)c2ccc(F)cc21.
What is the InChIKey of 3-amino-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one?
The InChIKey is ZSVZJZGTKXLACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O/c1-15-6-7-16(12(17)4-5-14)10-3-2-9(13)8-11(10)15/h2-3,8H,4-7,14H2,1H3.
What are the key properties of 3-amino-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one?
3-amino-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one has a molecular weight of 237.28 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one is sourced from PubChem (CID 119899739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).