7-[4-(aminomethyl)piperidine-1-carbonyl]-4-ethyl-1H-quinoxaline-2,3-dione;hydrochloride

C17H23ClN4O3 — CID 119423703

IUPAC7-[4-(aminomethyl)piperidine-1-carbonyl]-4-ethyl-1H-quinoxaline-2,3-dione;hydrochloride
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCC(CN)CC3)ccc21.Cl
InChIInChI=1S/C17H22N4O3.ClH/c1-2-21-14-4-3-12(9-13(14)19-15(22)17(21)24)16(23)20-7-5-11(10-18)6-8-20;/h3-4,9,11H,2,5-8,10,18H2,1H3,(H,19,22);1H
InChIKeyQOZYFWARQNOYOU-UHFFFAOYSA-N
MW366.85 g/mol
LogP0.94
Rot. Bonds3

About 7-[4-(aminomethyl)piperidine-1-carbonyl]-4-ethyl-1H-quinoxaline-2,3-dione;hydrochloride

7-[4-(aminomethyl)piperidine-1-carbonyl]-4-ethyl-1H-quinoxaline-2,3-dione;hydrochloride (PubChem CID 119423703) has the molecular formula C17H23ClN4O3 and a molecular weight of 366.85 g/mol. Its IUPAC name is 7-[4-(aminomethyl)piperidine-1-carbonyl]-4-ethyl-1H-quinoxaline-2,3-dione;hydrochloride.

Molecular Properties

Compound Name7-[4-(aminomethyl)piperidine-1-carbonyl]-4-ethyl-1H-quinoxaline-2,3-dione;hydrochloride
PubChem CID119423703
Molecular FormulaC17H23ClN4O3
Molecular Weight366.85 g/mol
Exact Mass366.15
IUPAC Name7-[4-(aminomethyl)piperidine-1-carbonyl]-4-ethyl-1H-quinoxaline-2,3-dione;hydrochloride
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCC(CN)CC3)ccc21.Cl
InChIInChI=1S/C17H22N4O3.ClH/c1-2-21-14-4-3-12(9-13(14)19-15(22)17(21)24)16(23)20-7-5-11(10-18)6-8-20;/h3-4,9,11H,2,5-8,10,18H2,1H3,(H,19,22);1H
InChIKeyQOZYFWARQNOYOU-UHFFFAOYSA-N
XLogP0.94
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-7-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-1H-quinoxaline-2,3-dione;hydrochloride
CID 120997842
N-(2-aminoethyl)-1-(1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbonyl)piperidine-3-carboxamide
CID 119481479
4-ethyl-7-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-quinoxaline-2,3-dione
CID 38072730
1-(1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbonyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 60600096
(3aS,6aR)-2-(1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120682219
N-(2-amino-1-cyclopropylethyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 119616301
N-(cyclohexylmethyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 2574060
7-(2,3-dihydroindole-1-carbonyl)-4-ethyl-1H-quinoxaline-2,3-dione
CID 26681014
2-[(1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbonyl)-methylamino]acetic acid
CID 119346233
2-[4-(1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 18209813
4-ethyl-7-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-1H-quinoxaline-2,3-dione
CID 26661546
N-[(2S)-butan-2-yl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 2557057

Frequently Asked Questions

What is the IUPAC name of 7-[4-(aminomethyl)piperidine-1-carbonyl]-4-ethyl-1H-quinoxaline-2,3-dione;hydrochloride?
The IUPAC name of 7-[4-(aminomethyl)piperidine-1-carbonyl]-4-ethyl-1H-quinoxaline-2,3-dione;hydrochloride (CID 119423703) is 7-[4-(aminomethyl)piperidine-1-carbonyl]-4-ethyl-1H-quinoxaline-2,3-dione;hydrochloride.
What is the SMILES notation for 7-[4-(aminomethyl)piperidine-1-carbonyl]-4-ethyl-1H-quinoxaline-2,3-dione;hydrochloride?
The canonical SMILES for 7-[4-(aminomethyl)piperidine-1-carbonyl]-4-ethyl-1H-quinoxaline-2,3-dione;hydrochloride is CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCC(CN)CC3)ccc21.Cl.
What is the InChIKey of 7-[4-(aminomethyl)piperidine-1-carbonyl]-4-ethyl-1H-quinoxaline-2,3-dione;hydrochloride?
The InChIKey is QOZYFWARQNOYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3.ClH/c1-2-21-14-4-3-12(9-13(14)19-15(22)17(21)24)16(23)20-7-5-11(10-18)6-8-20;/h3-4,9,11H,2,5-8,10,18H2,1H3,(H,19,22);1H.
What are the key properties of 7-[4-(aminomethyl)piperidine-1-carbonyl]-4-ethyl-1H-quinoxaline-2,3-dione;hydrochloride?
7-[4-(aminomethyl)piperidine-1-carbonyl]-4-ethyl-1H-quinoxaline-2,3-dione;hydrochloride has a molecular weight of 366.85 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(aminomethyl)piperidine-1-carbonyl]-4-ethyl-1H-quinoxaline-2,3-dione;hydrochloride is sourced from PubChem (CID 119423703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).