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

C13H19N3O — CID 55235571

IUPAC2-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one
SMILESCN1CCN(C(=O)C(C)(C)N)c2ccccc21
InChIInChI=1S/C13H19N3O/c1-13(2,14)12(17)16-9-8-15(3)10-6-4-5-7-11(10)16/h4-7H,8-9,14H2,1-3H3
InChIKeyOEKMDUBFYALUIX-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.21
Rot. Bonds1

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

2-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one (PubChem CID 55235571) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one
PubChem CID55235571
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one
SMILESCN1CCN(C(=O)C(C)(C)N)c2ccccc21
InChIInChI=1S/C13H19N3O/c1-13(2,14)12(17)16-9-8-15(3)10-6-4-5-7-11(10)16/h4-7H,8-9,14H2,1-3H3
InChIKeyOEKMDUBFYALUIX-UHFFFAOYSA-N
XLogP1.21
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3,3,3-trifluoro-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one
CID 79810901
2-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-one
CID 63778411
2-methyl-2-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)butanenitrile
CID 114291528
4-methyl-2,3-dihydroquinoxaline-1-carbohydrazide
CID 63776473
2-amino-2-methyl-1-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)propan-1-one;dihydrochloride
CID 119876914
2-bromo-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone
CID 63778569
3,3-dimethyl-2-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)butanoic acid
CID 116537185
2-methyl-2-[methyl-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)amino]propanoic acid
CID 63776639
4-methyl-2,3-dihydroquinoxaline-1-carboximidamide
CID 63776820
(4-methyl-2,3-dihydroquinoxalin-1-yl)-(4-methylphenyl)methanone
CID 110715085
N-ethyl-4-methyl-2,3-dihydroquinoxaline-1-carboxamide
CID 115683493
N,N-diethyl-4-methyl-2,3-dihydroquinoxaline-1-carboxamide
CID 115641411

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one?
The IUPAC name of 2-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one (CID 55235571) is 2-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one.
What is the SMILES notation for 2-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one?
The canonical SMILES for 2-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one is CN1CCN(C(=O)C(C)(C)N)c2ccccc21.
What is the InChIKey of 2-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one?
The InChIKey is OEKMDUBFYALUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-13(2,14)12(17)16-9-8-15(3)10-6-4-5-7-11(10)16/h4-7H,8-9,14H2,1-3H3.
What are the key properties of 2-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one?
2-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one has a molecular weight of 233.31 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one is sourced from PubChem (CID 55235571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).