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

C17H25ClN4O3 — CID 119607970

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide;hydrochloride
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)NC(C)(CN)C(C)C)ccc21.Cl
InChIInChI=1S/C17H24N4O3.ClH/c1-5-21-13-7-6-11(8-12(13)19-15(23)16(21)24)14(22)20-17(4,9-18)10(2)3;/h6-8,10H,5,9,18H2,1-4H3,(H,19,23)(H,20,22);1H
InChIKeyZQFPGZXYPGXRNS-UHFFFAOYSA-N
MW368.87 g/mol
LogP1.23
Rot. Bonds5

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

N-(1-amino-2,3-dimethylbutan-2-yl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide;hydrochloride (PubChem CID 119607970) has the molecular formula C17H25ClN4O3 and a molecular weight of 368.87 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide;hydrochloride
PubChem CID119607970
Molecular FormulaC17H25ClN4O3
Molecular Weight368.87 g/mol
Exact Mass368.16
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide;hydrochloride
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)NC(C)(CN)C(C)C)ccc21.Cl
InChIInChI=1S/C17H24N4O3.ClH/c1-5-21-13-7-6-11(8-12(13)19-15(23)16(21)24)14(22)20-17(4,9-18)10(2)3;/h6-8,10H,5,9,18H2,1-4H3,(H,19,23)(H,20,22);1H
InChIKeyZQFPGZXYPGXRNS-UHFFFAOYSA-N
XLogP1.23
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide;hydrochloride (CID 119607970) is N-(1-amino-2,3-dimethylbutan-2-yl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide;hydrochloride is CCn1c(=O)c(=O)[nH]c2cc(C(=O)NC(C)(CN)C(C)C)ccc21.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide;hydrochloride?
The InChIKey is ZQFPGZXYPGXRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3.ClH/c1-5-21-13-7-6-11(8-12(13)19-15(23)16(21)24)14(22)20-17(4,9-18)10(2)3;/h6-8,10H,5,9,18H2,1-4H3,(H,19,23)(H,20,22);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide;hydrochloride has a molecular weight of 368.87 g/mol, XLogP of 1.23, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide;hydrochloride is sourced from PubChem (CID 119607970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).