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

C12H14N4O3 — CID 43316103

IUPACN-(2-aminoethyl)-2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide
SMILESNCCNC(=O)C(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C12H14N4O3/c13-5-6-14-11(18)12(19)16-7-10(17)15-8-3-1-2-4-9(8)16/h1-4H,5-7,13H2,(H,14,18)(H,15,17)
InChIKeyZVGUWAQWONJZJN-UHFFFAOYSA-N
MW262.27 g/mol
LogP-0.95
Rot. Bonds2

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

N-(2-aminoethyl)-2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide (PubChem CID 43316103) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide
PubChem CID43316103
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC NameN-(2-aminoethyl)-2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide
SMILESNCCNC(=O)C(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C12H14N4O3/c13-5-6-14-11(18)12(19)16-7-10(17)15-8-3-1-2-4-9(8)16/h1-4H,5-7,13H2,(H,14,18)(H,15,17)
InChIKeyZVGUWAQWONJZJN-UHFFFAOYSA-N
XLogP-0.95
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetohydrazide
CID 43164015
N-(2-aminoethyl)-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide
CID 61206948
4-[1-(aminomethyl)cyclopropanecarbonyl]-1,3-dihydroquinoxalin-2-one
CID 80587760
4-(6-aminohexanoyl)-1,3-dihydroquinoxalin-2-one
CID 28822275
2-hydroxy-N-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]acetamide
CID 163261629
N-[2-(methylamino)ethyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 119502929
2-hydroxyethyl 3-oxo-2,4-dihydroquinoxaline-1-carboxylate
CID 79345427
(2S)-2-hydroxy-4-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]butanoic acid
CID 107838228
4-(2-bromopropanoyl)-1,3-dihydroquinoxalin-2-one
CID 107902910
4-(2-nitrosoacetyl)-1,3-dihydroquinoxalin-2-one
CID 54465544
4-(2-amino-2-ethylbutanoyl)-1,3-dihydroquinoxalin-2-one
CID 79810105
4-(2,2,2-trifluoroacetyl)-1,3-dihydroquinoxalin-2-one
CID 4749914

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide?
The IUPAC name of N-(2-aminoethyl)-2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide (CID 43316103) is N-(2-aminoethyl)-2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide is NCCNC(=O)C(=O)N1CC(=O)Nc2ccccc21.
What is the InChIKey of N-(2-aminoethyl)-2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide?
The InChIKey is ZVGUWAQWONJZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c13-5-6-14-11(18)12(19)16-7-10(17)15-8-3-1-2-4-9(8)16/h1-4H,5-7,13H2,(H,14,18)(H,15,17).
What are the key properties of N-(2-aminoethyl)-2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide?
N-(2-aminoethyl)-2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide has a molecular weight of 262.27 g/mol, XLogP of -0.95, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide is sourced from PubChem (CID 43316103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).