N-(1-amino-2,3-dimethylbutan-2-yl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide;hydrochloride

C15H21ClN4O3 — CID 119607727

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1.Cl
InChIInChI=1S/C15H20N4O3.ClH/c1-8(2)15(3,7-16)19-12(20)9-4-5-10-11(6-9)18-14(22)13(21)17-10;/h4-6,8H,7,16H2,1-3H3,(H,17,21)(H,18,22)(H,19,20);1H
InChIKeyZNCNKPIZHJAKJW-UHFFFAOYSA-N
MW340.81 g/mol
LogP0.74
Rot. Bonds4

About N-(1-amino-2,3-dimethylbutan-2-yl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide;hydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide;hydrochloride (PubChem CID 119607727) has the molecular formula C15H21ClN4O3 and a molecular weight of 340.81 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide;hydrochloride
PubChem CID119607727
Molecular FormulaC15H21ClN4O3
Molecular Weight340.81 g/mol
Exact Mass340.13
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1.Cl
InChIInChI=1S/C15H20N4O3.ClH/c1-8(2)15(3,7-16)19-12(20)9-4-5-10-11(6-9)18-14(22)13(21)17-10;/h4-6,8H,7,16H2,1-3H3,(H,17,21)(H,18,22)(H,19,20);1H
InChIKeyZNCNKPIZHJAKJW-UHFFFAOYSA-N
XLogP0.74
TPSA120.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 50.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(1-amino-2,3-dimethylbutan-2-yl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide;hydrochloride with MolForge

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide;hydrochloride
CID 119607970
N-(1-amino-2,3-dimethylbutan-2-yl)-3,4-dimethylbenzamide;hydrochloride
CID 119608726
N-(1-amino-2,3-dimethylbutan-2-yl)naphthalene-2-carboxamide
CID 81486115
N-(1-amino-2,3-dimethylbutan-2-yl)-3-iodobenzamide;hydrochloride
CID 119605904
N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluorobenzamide;hydrochloride
CID 119605448
3-N-(1-amino-2,3-dimethylbutan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide
CID 119609065
N-(1-amino-2,3-dimethylbutan-2-yl)-4-phenylbenzamide;hydrochloride
CID 119608679
N-(1-amino-2,3-dimethylbutan-2-yl)-4-chloro-3-methylbenzamide
CID 112701453
N-(1-amino-2,3-dimethylbutan-2-yl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide;hydrochloride
CID 119607556
N-(1-amino-2,3-dimethylbutan-2-yl)quinoxaline-6-carboxamide
CID 115310480
N-(1-amino-2,3-dimethylbutan-2-yl)-4-benzamidobenzamide;hydrochloride
CID 119607871
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-methylpropanoylamino)benzamide;hydrochloride
CID 119607897

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide;hydrochloride (CID 119607727) is N-(1-amino-2,3-dimethylbutan-2-yl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide;hydrochloride is CC(C)C(C)(CN)NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide;hydrochloride?
The InChIKey is ZNCNKPIZHJAKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3.ClH/c1-8(2)15(3,7-16)19-12(20)9-4-5-10-11(6-9)18-14(22)13(21)17-10;/h4-6,8H,7,16H2,1-3H3,(H,17,21)(H,18,22)(H,19,20);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide;hydrochloride has a molecular weight of 340.81 g/mol, XLogP of 0.74, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide;hydrochloride is sourced from PubChem (CID 119607727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).