1-ethyl-2,3-dioxo-N-(2-piperidin-3-ylethyl)-4H-quinoxaline-6-carboxamide;hydrochloride

C18H25ClN4O3 — CID 119558159

IUPAC1-ethyl-2,3-dioxo-N-(2-piperidin-3-ylethyl)-4H-quinoxaline-6-carboxamide;hydrochloride
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)NCCC3CCCNC3)ccc21.Cl
InChIInChI=1S/C18H24N4O3.ClH/c1-2-22-15-6-5-13(10-14(15)21-17(24)18(22)25)16(23)20-9-7-12-4-3-8-19-11-12;/h5-6,10,12,19H,2-4,7-9,11H2,1H3,(H,20,23)(H,21,24);1H
InChIKeyMEXLNECVDXYLLC-UHFFFAOYSA-N
MW380.88 g/mol
LogP1.25
Rot. Bonds5

About 1-ethyl-2,3-dioxo-N-(2-piperidin-3-ylethyl)-4H-quinoxaline-6-carboxamide;hydrochloride

1-ethyl-2,3-dioxo-N-(2-piperidin-3-ylethyl)-4H-quinoxaline-6-carboxamide;hydrochloride (PubChem CID 119558159) has the molecular formula C18H25ClN4O3 and a molecular weight of 380.88 g/mol. Its IUPAC name is 1-ethyl-2,3-dioxo-N-(2-piperidin-3-ylethyl)-4H-quinoxaline-6-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-ethyl-2,3-dioxo-N-(2-piperidin-3-ylethyl)-4H-quinoxaline-6-carboxamide;hydrochloride
PubChem CID119558159
Molecular FormulaC18H25ClN4O3
Molecular Weight380.88 g/mol
Exact Mass380.16
IUPAC Name1-ethyl-2,3-dioxo-N-(2-piperidin-3-ylethyl)-4H-quinoxaline-6-carboxamide;hydrochloride
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)NCCC3CCCNC3)ccc21.Cl
InChIInChI=1S/C18H24N4O3.ClH/c1-2-22-15-6-5-13(10-14(15)21-17(24)18(22)25)16(23)20-9-7-12-4-3-8-19-11-12;/h5-6,10,12,19H,2-4,7-9,11H2,1H3,(H,20,23)(H,21,24);1H
InChIKeyMEXLNECVDXYLLC-UHFFFAOYSA-N
XLogP1.25
TPSA95.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclohexylmethyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 2574060
1-ethyl-2,3-dioxo-N-(2-piperazin-1-ylethyl)-4H-quinoxaline-6-carboxamide;hydrochloride
CID 119447949
1-ethyl-N-(3-methoxypropyl)-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 35513573
3-fluoro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556963
4-N-(2,2-dimethylpropyl)-1-N-(2-piperidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119558369
1-N-methyl-3-N-(2-piperidin-3-ylethyl)benzene-1,3-dicarboxamide
CID 119559534
3,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119557335
4-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554925
N-(2-piperidin-3-ylethyl)-3,4-dipropoxybenzamide;hydrochloride
CID 119558696
3-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555518
2-oxo-N-(2-piperidin-3-ylethyl)-1H-pyridine-4-carboxamide
CID 103806761
3-chloro-N-(2-piperidin-3-ylethyl)benzamide
CID 63628186

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3-dioxo-N-(2-piperidin-3-ylethyl)-4H-quinoxaline-6-carboxamide;hydrochloride?
The IUPAC name of 1-ethyl-2,3-dioxo-N-(2-piperidin-3-ylethyl)-4H-quinoxaline-6-carboxamide;hydrochloride (CID 119558159) is 1-ethyl-2,3-dioxo-N-(2-piperidin-3-ylethyl)-4H-quinoxaline-6-carboxamide;hydrochloride.
What is the SMILES notation for 1-ethyl-2,3-dioxo-N-(2-piperidin-3-ylethyl)-4H-quinoxaline-6-carboxamide;hydrochloride?
The canonical SMILES for 1-ethyl-2,3-dioxo-N-(2-piperidin-3-ylethyl)-4H-quinoxaline-6-carboxamide;hydrochloride is CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCCC3CCCNC3)ccc21.Cl.
What is the InChIKey of 1-ethyl-2,3-dioxo-N-(2-piperidin-3-ylethyl)-4H-quinoxaline-6-carboxamide;hydrochloride?
The InChIKey is MEXLNECVDXYLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3.ClH/c1-2-22-15-6-5-13(10-14(15)21-17(24)18(22)25)16(23)20-9-7-12-4-3-8-19-11-12;/h5-6,10,12,19H,2-4,7-9,11H2,1H3,(H,20,23)(H,21,24);1H.
What are the key properties of 1-ethyl-2,3-dioxo-N-(2-piperidin-3-ylethyl)-4H-quinoxaline-6-carboxamide;hydrochloride?
1-ethyl-2,3-dioxo-N-(2-piperidin-3-ylethyl)-4H-quinoxaline-6-carboxamide;hydrochloride has a molecular weight of 380.88 g/mol, XLogP of 1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3-dioxo-N-(2-piperidin-3-ylethyl)-4H-quinoxaline-6-carboxamide;hydrochloride is sourced from PubChem (CID 119558159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).