3-amino-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)butanamide

C12H14N4O3 — CID 60836174

IUPAC3-amino-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)butanamide
SMILESCC(N)CC(=O)Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C12H14N4O3/c1-6(13)4-10(17)14-7-2-3-8-9(5-7)16-12(19)11(18)15-8/h2-3,5-6H,4,13H2,1H3,(H,14,17)(H,15,18)(H,16,19)
InChIKeyUTFYXRRXDVYKOL-UHFFFAOYSA-N
MW262.27 g/mol
LogP-0.11
Rot. Bonds3

About 3-amino-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)butanamide

3-amino-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)butanamide (PubChem CID 60836174) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 3-amino-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)butanamide.

Molecular Properties

Compound Name3-amino-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)butanamide
PubChem CID60836174
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name3-amino-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)butanamide
SMILESCC(N)CC(=O)Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C12H14N4O3/c1-6(13)4-10(17)14-7-2-3-8-9(5-7)16-12(19)11(18)15-8/h2-3,5-6H,4,13H2,1H3,(H,14,17)(H,15,18)(H,16,19)
InChIKeyUTFYXRRXDVYKOL-UHFFFAOYSA-N
XLogP-0.11
TPSA120.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 5-0.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-oxobutanamide
CID 61249007
3-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)amino]-3-oxopropanoic acid
CID 62231775
N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-2-methoxyacetamide
CID 60701020
N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)acetamide
CID 60700393
3-amino-N-(3,4-difluorophenyl)butanamide
CID 60835672
5-bromo-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pentanamide
CID 107908877
3-amino-N-(2,3-dihydro-1H-inden-5-yl)butanamide;hydrochloride
CID 119678186
3-amino-N-(3-ethyl-4-methylphenyl)butanamide
CID 120874215
3-amino-N-[4-(carbamoylamino)phenyl]butanamide;hydrochloride
CID 119701459
3-amino-N-(3-hydroxyphenyl)butanamide
CID 61165718
3-amino-N-(3-bromo-4-fluorophenyl)butanamide
CID 115738294
4-(3-aminobutanoylamino)-2-chlorobenzoic acid
CID 61399027

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)butanamide?
The IUPAC name of 3-amino-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)butanamide (CID 60836174) is 3-amino-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)butanamide.
What is the SMILES notation for 3-amino-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)butanamide?
The canonical SMILES for 3-amino-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)butanamide is CC(N)CC(=O)Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1.
What is the InChIKey of 3-amino-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)butanamide?
The InChIKey is UTFYXRRXDVYKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-6(13)4-10(17)14-7-2-3-8-9(5-7)16-12(19)11(18)15-8/h2-3,5-6H,4,13H2,1H3,(H,14,17)(H,15,18)(H,16,19).
What are the key properties of 3-amino-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)butanamide?
3-amino-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)butanamide has a molecular weight of 262.27 g/mol, XLogP of -0.11, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)butanamide is sourced from PubChem (CID 60836174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).