2-(aminomethyl)-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-one

C14H21N3O — CID 63779129

IUPAC2-(aminomethyl)-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-one
SMILESCCC(CN)C(=O)N1CCN(C)c2ccccc21
InChIInChI=1S/C14H21N3O/c1-3-11(10-15)14(18)17-9-8-16(2)12-6-4-5-7-13(12)17/h4-7,11H,3,8-10,15H2,1-2H3
InChIKeyZYIYQAVEIPKPHT-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.45
Rot. Bonds3

About 2-(aminomethyl)-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-one

2-(aminomethyl)-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-one (PubChem CID 63779129) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-one
PubChem CID63779129
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-(aminomethyl)-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-one
SMILESCCC(CN)C(=O)N1CCN(C)c2ccccc21
InChIInChI=1S/C14H21N3O/c1-3-11(10-15)14(18)17-9-8-16(2)12-6-4-5-7-13(12)17/h4-7,11H,3,8-10,15H2,1-2H3
InChIKeyZYIYQAVEIPKPHT-UHFFFAOYSA-N
XLogP1.45
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2,3-dihydroquinoxaline-1-carbohydrazide
CID 63776473
N-ethyl-4-methyl-2,3-dihydroquinoxaline-1-carboxamide
CID 115683493
1-[2-(aminomethyl)butanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 80564963
6-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)heptan-1-one
CID 65291095
4-methyl-N-propyl-2,3-dihydroquinoxaline-1-carboxamide
CID 110747567
2-bromo-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone
CID 63778569
N,N-diethyl-4-methyl-2,3-dihydroquinoxaline-1-carboxamide
CID 115641411
3,3-dimethyl-2-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)butanoic acid
CID 116537185
2-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one
CID 55235571
N'-hydroxy-3-methyl-2-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)butanimidamide
CID 77005820
2-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-one
CID 63778411
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-ethylbutan-1-one
CID 110713052

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-one?
The IUPAC name of 2-(aminomethyl)-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-one (CID 63779129) is 2-(aminomethyl)-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-one.
What is the SMILES notation for 2-(aminomethyl)-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-one?
The canonical SMILES for 2-(aminomethyl)-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-one is CCC(CN)C(=O)N1CCN(C)c2ccccc21.
What is the InChIKey of 2-(aminomethyl)-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-one?
The InChIKey is ZYIYQAVEIPKPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-11(10-15)14(18)17-9-8-16(2)12-6-4-5-7-13(12)17/h4-7,11H,3,8-10,15H2,1-2H3.
What are the key properties of 2-(aminomethyl)-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-one?
2-(aminomethyl)-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-one has a molecular weight of 247.34 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-one is sourced from PubChem (CID 63779129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).