4-ethyl-7-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-1H-quinoxaline-2,3-dione;hydrochloride

C19H23ClN6O3 — CID 120878107

IUPAC4-ethyl-7-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-1H-quinoxaline-2,3-dione;hydrochloride
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCNCC3c3nccn3C)ccc21.Cl
InChIInChI=1S/C19H22N6O3.ClH/c1-3-24-14-5-4-12(10-13(14)22-17(26)19(24)28)18(27)25-9-6-20-11-15(25)16-21-7-8-23(16)2;/h4-5,7-8,10,15,20H,3,6,9,11H2,1-2H3,(H,22,26);1H
InChIKeyHWNQQYQNJDCULY-UHFFFAOYSA-N
MW418.89 g/mol
LogP0.65
Rot. Bonds3

About 4-ethyl-7-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-1H-quinoxaline-2,3-dione;hydrochloride

4-ethyl-7-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-1H-quinoxaline-2,3-dione;hydrochloride (PubChem CID 120878107) has the molecular formula C19H23ClN6O3 and a molecular weight of 418.89 g/mol. Its IUPAC name is 4-ethyl-7-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-1H-quinoxaline-2,3-dione;hydrochloride.

Molecular Properties

Compound Name4-ethyl-7-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-1H-quinoxaline-2,3-dione;hydrochloride
PubChem CID120878107
Molecular FormulaC19H23ClN6O3
Molecular Weight418.89 g/mol
Exact Mass418.15
IUPAC Name4-ethyl-7-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-1H-quinoxaline-2,3-dione;hydrochloride
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCNCC3c3nccn3C)ccc21.Cl
InChIInChI=1S/C19H22N6O3.ClH/c1-3-24-14-5-4-12(10-13(14)22-17(26)19(24)28)18(27)25-9-6-20-11-15(25)16-21-7-8-23(16)2;/h4-5,7-8,10,15,20H,3,6,9,11H2,1-2H3,(H,22,26);1H
InChIKeyHWNQQYQNJDCULY-UHFFFAOYSA-N
XLogP0.65
TPSA105.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.89
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-ethyl-7-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-1H-quinoxaline-2,3-dione;hydrochloride with MolForge

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Related Compounds

(3,4-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880181
(3,4-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120880182
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-propylphenyl)methanone;hydrochloride
CID 120877871
2,3-dihydro-1H-inden-5-yl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880409
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120878912
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 120880628
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone;hydrochloride
CID 120878645
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride
CID 120878927
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone;hydrochloride
CID 120879403
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 120877640
(3-cyclopentyloxyphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120879589
(3,5-dichlorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120880230

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-7-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-1H-quinoxaline-2,3-dione;hydrochloride?
The IUPAC name of 4-ethyl-7-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-1H-quinoxaline-2,3-dione;hydrochloride (CID 120878107) is 4-ethyl-7-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-1H-quinoxaline-2,3-dione;hydrochloride.
What is the SMILES notation for 4-ethyl-7-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-1H-quinoxaline-2,3-dione;hydrochloride?
The canonical SMILES for 4-ethyl-7-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-1H-quinoxaline-2,3-dione;hydrochloride is CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCNCC3c3nccn3C)ccc21.Cl.
What is the InChIKey of 4-ethyl-7-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-1H-quinoxaline-2,3-dione;hydrochloride?
The InChIKey is HWNQQYQNJDCULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3.ClH/c1-3-24-14-5-4-12(10-13(14)22-17(26)19(24)28)18(27)25-9-6-20-11-15(25)16-21-7-8-23(16)2;/h4-5,7-8,10,15,20H,3,6,9,11H2,1-2H3,(H,22,26);1H.
What are the key properties of 4-ethyl-7-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-1H-quinoxaline-2,3-dione;hydrochloride?
4-ethyl-7-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-1H-quinoxaline-2,3-dione;hydrochloride has a molecular weight of 418.89 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-7-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-1H-quinoxaline-2,3-dione;hydrochloride is sourced from PubChem (CID 120878107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).