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

C12H16N4O2 — CID 61206948

IUPACN-(2-aminoethyl)-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide
SMILESNCCNC(=O)CN1CC(=O)Nc2ccccc21
InChIInChI=1S/C12H16N4O2/c13-5-6-14-11(17)7-16-8-12(18)15-9-3-1-2-4-10(9)16/h1-4H,5-8,13H2,(H,14,17)(H,15,18)
InChIKeyQUZBEXFFAKTGJH-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.48
Rot. Bonds4

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

N-(2-aminoethyl)-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide (PubChem CID 61206948) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide
PubChem CID61206948
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC NameN-(2-aminoethyl)-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide
SMILESNCCNC(=O)CN1CC(=O)Nc2ccccc21
InChIInChI=1S/C12H16N4O2/c13-5-6-14-11(17)7-16-8-12(18)15-9-3-1-2-4-10(9)16/h1-4H,5-8,13H2,(H,14,17)(H,15,18)
InChIKeyQUZBEXFFAKTGJH-UHFFFAOYSA-N
XLogP-0.48
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide?
The IUPAC name of N-(2-aminoethyl)-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide (CID 61206948) is N-(2-aminoethyl)-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide is NCCNC(=O)CN1CC(=O)Nc2ccccc21.
What is the InChIKey of N-(2-aminoethyl)-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide?
The InChIKey is QUZBEXFFAKTGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c13-5-6-14-11(17)7-16-8-12(18)15-9-3-1-2-4-10(9)16/h1-4H,5-8,13H2,(H,14,17)(H,15,18).
What are the key properties of N-(2-aminoethyl)-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide?
N-(2-aminoethyl)-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide has a molecular weight of 248.29 g/mol, XLogP of -0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide is sourced from PubChem (CID 61206948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).