1-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide

C16H22N4O3 — CID 120653143

IUPAC1-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
SMILESCCN[C@H](C)CNC(=O)c1ccc2c(c1)[nH]c(=O)c(=O)n2CC
InChIInChI=1S/C16H22N4O3/c1-4-17-10(3)9-18-14(21)11-6-7-13-12(8-11)19-15(22)16(23)20(13)5-2/h6-8,10,17H,4-5,9H2,1-3H3,(H,18,21)(H,19,22)/t10-/m1/s1
InChIKeyMUUMIMZAKHKGQA-SNVBAGLBSA-N
MW318.38 g/mol
LogP0.44
Rot. Bonds6

About 1-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide

1-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide (PubChem CID 120653143) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
PubChem CID120653143
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name1-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
SMILESCCN[C@H](C)CNC(=O)c1ccc2c(c1)[nH]c(=O)c(=O)n2CC
InChIInChI=1S/C16H22N4O3/c1-4-17-10(3)9-18-14(21)11-6-7-13-12(8-11)19-15(22)16(23)20(13)5-2/h6-8,10,17H,4-5,9H2,1-3H3,(H,18,21)(H,19,22)/t10-/m1/s1
InChIKeyMUUMIMZAKHKGQA-SNVBAGLBSA-N
XLogP0.44
TPSA95.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide with MolForge

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Related Compounds

N-[(2S)-butan-2-yl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 2557057
1-ethyl-2,3-dioxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-quinoxaline-6-carboxamide
CID 27742876
3-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxamide;hydrochloride
CID 120650490
N-(cyclohexylmethyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 2574060
1-ethyl-N-(3-methoxypropyl)-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 35513573
1-ethyl-N-[(3-methylphenyl)methyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 33279242
1-ethyl-2,3-dioxo-N-(2-piperazin-1-ylethyl)-4H-quinoxaline-6-carboxamide;hydrochloride
CID 119447949
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 112764496
N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 40891158
1-ethyl-N-(3-methyl-1-phenylbutyl)-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 78799420
1-ethyl-N-(1H-indol-2-ylmethyl)-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 167771108
4-[(1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbonyl)amino]-4-methylpentanoic acid
CID 119357294

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide?
The IUPAC name of 1-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide (CID 120653143) is 1-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide?
The canonical SMILES for 1-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide is CCN[C@H](C)CNC(=O)c1ccc2c(c1)[nH]c(=O)c(=O)n2CC.
What is the InChIKey of 1-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide?
The InChIKey is MUUMIMZAKHKGQA-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-4-17-10(3)9-18-14(21)11-6-7-13-12(8-11)19-15(22)16(23)20(13)5-2/h6-8,10,17H,4-5,9H2,1-3H3,(H,18,21)(H,19,22)/t10-/m1/s1.
What are the key properties of 1-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide?
1-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide is sourced from PubChem (CID 120653143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).