3-[[2-aminoethyl(methyl)amino]methyl]-1H-quinoxalin-2-one

C12H16N4O — CID 55103508

IUPAC3-[[2-aminoethyl(methyl)amino]methyl]-1H-quinoxalin-2-one
SMILESCN(CCN)Cc1nc2ccccc2[nH]c1=O
InChIInChI=1S/C12H16N4O/c1-16(7-6-13)8-11-12(17)15-10-5-3-2-4-9(10)14-11/h2-5H,6-8,13H2,1H3,(H,15,17)
InChIKeyLXLRPUVCWMCYEI-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.31
Rot. Bonds4

About 3-[[2-aminoethyl(methyl)amino]methyl]-1H-quinoxalin-2-one

3-[[2-aminoethyl(methyl)amino]methyl]-1H-quinoxalin-2-one (PubChem CID 55103508) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-[[2-aminoethyl(methyl)amino]methyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[[2-aminoethyl(methyl)amino]methyl]-1H-quinoxalin-2-one
PubChem CID55103508
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name3-[[2-aminoethyl(methyl)amino]methyl]-1H-quinoxalin-2-one
SMILESCN(CCN)Cc1nc2ccccc2[nH]c1=O
InChIInChI=1S/C12H16N4O/c1-16(7-6-13)8-11-12(17)15-10-5-3-2-4-9(10)14-11/h2-5H,6-8,13H2,1H3,(H,15,17)
InChIKeyLXLRPUVCWMCYEI-UHFFFAOYSA-N
XLogP0.31
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-1H-quinoxalin-2-one
CID 79653099
methyl 2-[methyl-[(3-oxo-4H-quinoxalin-2-yl)methyl]amino]acetate
CID 62027268
3-[[cyclohexyl(methyl)amino]methyl]-1H-quinoxalin-2-one
CID 86774445
3-[[ethyl(2-hydroxyethyl)amino]methyl]-1H-quinoxalin-2-one
CID 62022162
N'-(1H-benzimidazol-2-ylmethyl)-N'-methylpropane-1,3-diamine
CID 115319140
3-[2-(dimethylamino)ethylsulfanylmethyl]-1H-quinoxalin-2-one
CID 134065176
3-(4-aminobutan-2-ylsulfanylmethyl)-1H-quinoxalin-2-one
CID 66229525
3-[ethyl-[(3-oxo-4H-quinoxalin-2-yl)methyl]amino]propanoic acid
CID 61011313
3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-1H-quinoxalin-2-one
CID 103864994
2-[2-methylpropyl-[(3-oxo-4H-quinoxalin-2-yl)methyl]amino]acetic acid
CID 63066089
3-(azidomethyl)-1H-quinoxalin-2-one
CID 55137763
3-[[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]methyl]-1H-quinoxalin-2-one
CID 86774537

Frequently Asked Questions

What is the IUPAC name of 3-[[2-aminoethyl(methyl)amino]methyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[[2-aminoethyl(methyl)amino]methyl]-1H-quinoxalin-2-one (CID 55103508) is 3-[[2-aminoethyl(methyl)amino]methyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[[2-aminoethyl(methyl)amino]methyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[[2-aminoethyl(methyl)amino]methyl]-1H-quinoxalin-2-one is CN(CCN)Cc1nc2ccccc2[nH]c1=O.
What is the InChIKey of 3-[[2-aminoethyl(methyl)amino]methyl]-1H-quinoxalin-2-one?
The InChIKey is LXLRPUVCWMCYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-16(7-6-13)8-11-12(17)15-10-5-3-2-4-9(10)14-11/h2-5H,6-8,13H2,1H3,(H,15,17).
What are the key properties of 3-[[2-aminoethyl(methyl)amino]methyl]-1H-quinoxalin-2-one?
3-[[2-aminoethyl(methyl)amino]methyl]-1H-quinoxalin-2-one has a molecular weight of 232.29 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-aminoethyl(methyl)amino]methyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 55103508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).