N-(2-aminoethyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)acetamide

C13H20N4O — CID 63777833

IUPACN-(2-aminoethyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)acetamide
SMILESCN1CCN(CC(=O)NCCN)c2ccccc21
InChIInChI=1S/C13H20N4O/c1-16-8-9-17(10-13(18)15-7-6-14)12-5-3-2-4-11(12)16/h2-5H,6-10,14H2,1H3,(H,15,18)
InChIKeyAZLLVVUDNOANSI-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.02
Rot. Bonds4

About N-(2-aminoethyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)acetamide

N-(2-aminoethyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)acetamide (PubChem CID 63777833) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)acetamide
PubChem CID63777833
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-(2-aminoethyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)acetamide
SMILESCN1CCN(CC(=O)NCCN)c2ccccc21
InChIInChI=1S/C13H20N4O/c1-16-8-9-17(10-13(18)15-7-6-14)12-5-3-2-4-11(12)16/h2-5H,6-10,14H2,1H3,(H,15,18)
InChIKeyAZLLVVUDNOANSI-UHFFFAOYSA-N
XLogP0.02
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanamine
CID 28806962
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-phenylethanone
CID 63776591
3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanehydrazide
CID 63776813
N-(2-aminoethyl)-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide
CID 61206948
N-(2-aminoethyl)-2-(1,3-dihydroisoindol-2-yl)acetamide
CID 62204635
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
CID 55235951
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-thiophen-2-ylethanone
CID 63778575
potassium trifluoro-[3-(4-methyl-2,3-dihydroquinoxalin-1-yl)prop-1-en-2-yl]boranuide
CID 106746087
4-methyl-N-propyl-2,3-dihydroquinoxaline-1-carboxamide
CID 110747567
1-bromo-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-ol
CID 112561690
N-ethyl-4-methyl-2,3-dihydroquinoxaline-1-carboxamide
CID 115683493
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 108994643

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)acetamide?
The IUPAC name of N-(2-aminoethyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)acetamide (CID 63777833) is N-(2-aminoethyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)acetamide is CN1CCN(CC(=O)NCCN)c2ccccc21.
What is the InChIKey of N-(2-aminoethyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)acetamide?
The InChIKey is AZLLVVUDNOANSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-16-8-9-17(10-13(18)15-7-6-14)12-5-3-2-4-11(12)16/h2-5H,6-10,14H2,1H3,(H,15,18).
What are the key properties of N-(2-aminoethyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)acetamide?
N-(2-aminoethyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)acetamide has a molecular weight of 248.33 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)acetamide is sourced from PubChem (CID 63777833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).