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

C17H24ClN5O3 — CID 119447949

IUPAC1-ethyl-2,3-dioxo-N-(2-piperazin-1-ylethyl)-4H-quinoxaline-6-carboxamide;hydrochloride
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)NCCN3CCNCC3)ccc21.Cl
InChIInChI=1S/C17H23N5O3.ClH/c1-2-22-14-4-3-12(11-13(14)20-16(24)17(22)25)15(23)19-7-10-21-8-5-18-6-9-21;/h3-4,11,18H,2,5-10H2,1H3,(H,19,23)(H,20,24);1H
InChIKeyPTWVTJQFRFQIOT-UHFFFAOYSA-N
MW381.86 g/mol
LogP-0.23
Rot. Bonds5

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

1-ethyl-2,3-dioxo-N-(2-piperazin-1-ylethyl)-4H-quinoxaline-6-carboxamide;hydrochloride (PubChem CID 119447949) has the molecular formula C17H24ClN5O3 and a molecular weight of 381.86 g/mol. Its IUPAC name is 1-ethyl-2,3-dioxo-N-(2-piperazin-1-ylethyl)-4H-quinoxaline-6-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-ethyl-2,3-dioxo-N-(2-piperazin-1-ylethyl)-4H-quinoxaline-6-carboxamide;hydrochloride
PubChem CID119447949
Molecular FormulaC17H24ClN5O3
Molecular Weight381.86 g/mol
Exact Mass381.16
IUPAC Name1-ethyl-2,3-dioxo-N-(2-piperazin-1-ylethyl)-4H-quinoxaline-6-carboxamide;hydrochloride
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)NCCN3CCNCC3)ccc21.Cl
InChIInChI=1S/C17H23N5O3.ClH/c1-2-22-14-4-3-12(11-13(14)20-16(24)17(22)25)15(23)19-7-10-21-8-5-18-6-9-21;/h3-4,11,18H,2,5-10H2,1H3,(H,19,23)(H,20,24);1H
InChIKeyPTWVTJQFRFQIOT-UHFFFAOYSA-N
XLogP-0.23
TPSA99.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-ethyl-2,3-dioxo-N-(2-piperazin-1-ylethyl)-4H-quinoxaline-6-carboxamide;hydrochloride with MolForge

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Related Compounds

1-ethyl-2,3-dioxo-N-(2-piperidin-3-ylethyl)-4H-quinoxaline-6-carboxamide;hydrochloride
CID 119558159
1-ethyl-N-(3-methoxypropyl)-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 35513573
1-cyclopentyl-2-oxo-N-(2-piperazin-1-ylethyl)-3H-benzimidazole-5-carboxamide;hydrochloride
CID 119448652
N-[(2S)-butan-2-yl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 2557057
1-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 120653143
N-(cyclohexylmethyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 2574060
1-ethyl-N-[2-(4-methylphenoxy)ethyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 27823645
1-ethyl-2,3-dioxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-quinoxaline-6-carboxamide
CID 27742876
1-ethyl-2,3-dioxo-N-(2-pyridin-3-ylethyl)-4H-quinoxaline-6-carboxamide
CID 39560436
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 17468452
1-(2-acetamidoethyl)-2,3-dioxo-4H-quinoxaline-6-carboxylic acid
CID 43552815
N-[3-(4-bromoanilino)-3-oxopropyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 60552253

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3-dioxo-N-(2-piperazin-1-ylethyl)-4H-quinoxaline-6-carboxamide;hydrochloride?
The IUPAC name of 1-ethyl-2,3-dioxo-N-(2-piperazin-1-ylethyl)-4H-quinoxaline-6-carboxamide;hydrochloride (CID 119447949) is 1-ethyl-2,3-dioxo-N-(2-piperazin-1-ylethyl)-4H-quinoxaline-6-carboxamide;hydrochloride.
What is the SMILES notation for 1-ethyl-2,3-dioxo-N-(2-piperazin-1-ylethyl)-4H-quinoxaline-6-carboxamide;hydrochloride?
The canonical SMILES for 1-ethyl-2,3-dioxo-N-(2-piperazin-1-ylethyl)-4H-quinoxaline-6-carboxamide;hydrochloride is CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCCN3CCNCC3)ccc21.Cl.
What is the InChIKey of 1-ethyl-2,3-dioxo-N-(2-piperazin-1-ylethyl)-4H-quinoxaline-6-carboxamide;hydrochloride?
The InChIKey is PTWVTJQFRFQIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3.ClH/c1-2-22-14-4-3-12(11-13(14)20-16(24)17(22)25)15(23)19-7-10-21-8-5-18-6-9-21;/h3-4,11,18H,2,5-10H2,1H3,(H,19,23)(H,20,24);1H.
What are the key properties of 1-ethyl-2,3-dioxo-N-(2-piperazin-1-ylethyl)-4H-quinoxaline-6-carboxamide;hydrochloride?
1-ethyl-2,3-dioxo-N-(2-piperazin-1-ylethyl)-4H-quinoxaline-6-carboxamide;hydrochloride has a molecular weight of 381.86 g/mol, XLogP of -0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3-dioxo-N-(2-piperazin-1-ylethyl)-4H-quinoxaline-6-carboxamide;hydrochloride is sourced from PubChem (CID 119447949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).