3-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-1H-quinoxalin-2-one

C15H22N4O — CID 79653099

IUPAC3-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-1H-quinoxalin-2-one
SMILESCN(Cc1nc2ccccc2[nH]c1=O)CC(C)(C)CN
InChIInChI=1S/C15H22N4O/c1-15(2,9-16)10-19(3)8-13-14(20)18-12-7-5-4-6-11(12)17-13/h4-7H,8-10,16H2,1-3H3,(H,18,20)
InChIKeySUHGNCCMNGOSDO-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.34
Rot. Bonds5

About 3-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-1H-quinoxalin-2-one

3-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-1H-quinoxalin-2-one (PubChem CID 79653099) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 3-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-1H-quinoxalin-2-one
PubChem CID79653099
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name3-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-1H-quinoxalin-2-one
SMILESCN(Cc1nc2ccccc2[nH]c1=O)CC(C)(C)CN
InChIInChI=1S/C15H22N4O/c1-15(2,9-16)10-19(3)8-13-14(20)18-12-7-5-4-6-11(12)17-13/h4-7H,8-10,16H2,1-3H3,(H,18,20)
InChIKeySUHGNCCMNGOSDO-UHFFFAOYSA-N
XLogP1.34
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-1H-quinoxalin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[2-aminoethyl(methyl)amino]methyl]-1H-quinoxalin-2-one
CID 55103508
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
3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-1H-quinoxalin-2-one
CID 103864994
N'-benzyl-N',2,2-trimethylpropane-1,3-diamine
CID 62262842
3-[2-(dimethylamino)ethylsulfanylmethyl]-1H-quinoxalin-2-one
CID 134065176
3-[ethyl-[(3-oxo-4H-quinoxalin-2-yl)methyl]amino]propanoic acid
CID 61011313
2-[2-methylpropyl-[(3-oxo-4H-quinoxalin-2-yl)methyl]amino]acetic acid
CID 63066089
3-(4-aminobutan-2-ylsulfanylmethyl)-1H-quinoxalin-2-one
CID 66229525
N',2,2-trimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 62256476
N'-(1H-benzimidazol-2-ylmethyl)-N'-methylpropane-1,3-diamine
CID 115319140

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-1H-quinoxalin-2-one (CID 79653099) is 3-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-1H-quinoxalin-2-one is CN(Cc1nc2ccccc2[nH]c1=O)CC(C)(C)CN.
What is the InChIKey of 3-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-1H-quinoxalin-2-one?
The InChIKey is SUHGNCCMNGOSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-15(2,9-16)10-19(3)8-13-14(20)18-12-7-5-4-6-11(12)17-13/h4-7H,8-10,16H2,1-3H3,(H,18,20).
What are the key properties of 3-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-1H-quinoxalin-2-one?
3-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-1H-quinoxalin-2-one has a molecular weight of 274.37 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 79653099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).