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

C18H23N3O3 — CID 40842866

IUPAC1-ethyl-N-[(1R,2S)-2-methylcyclohexyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)N[C@@H]3CCCC[C@@H]3C)ccc21
InChIInChI=1S/C18H23N3O3/c1-3-21-15-9-8-12(10-14(15)20-17(23)18(21)24)16(22)19-13-7-5-4-6-11(13)2/h8-11,13H,3-7H2,1-2H3,(H,19,22)(H,20,23)/t11-,13+/m0/s1
InChIKeyIOUOYZNZPFUIIN-WCQYABFASA-N
MW329.40 g/mol
LogP2.02
Rot. Bonds3

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

1-ethyl-N-[(1R,2S)-2-methylcyclohexyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide (PubChem CID 40842866) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-ethyl-N-[(1R,2S)-2-methylcyclohexyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(1R,2S)-2-methylcyclohexyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
PubChem CID40842866
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1-ethyl-N-[(1R,2S)-2-methylcyclohexyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)N[C@@H]3CCCC[C@@H]3C)ccc21
InChIInChI=1S/C18H23N3O3/c1-3-21-15-9-8-12(10-14(15)20-17(23)18(21)24)16(22)19-13-7-5-4-6-11(13)2/h8-11,13H,3-7H2,1-2H3,(H,19,22)(H,20,23)/t11-,13+/m0/s1
InChIKeyIOUOYZNZPFUIIN-WCQYABFASA-N
XLogP2.02
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

N-(cyclohexylmethyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 2574060
1-ethyl-N-(2-methylpiperidin-4-yl)-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 120600709
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 41367995
1-ethyl-2,3-dioxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-4H-quinoxaline-6-carboxamide
CID 2649526
N-(2-amino-1-cyclopropylethyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 119616301
1-[(4-methoxyphenyl)methyl]-N-[(1S,2R)-2-methylcyclohexyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 7451501
N-[(2S)-butan-2-yl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 2557057
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 43008996
1-ethyl-2,3-dioxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-quinoxaline-6-carboxamide
CID 27742876
N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 32864496
1-ethyl-2,3-dioxo-N-(2-piperidin-3-ylethyl)-4H-quinoxaline-6-carboxamide;hydrochloride
CID 119558159
N-(1-amino-2-methylpropan-2-yl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 119523999

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(1R,2S)-2-methylcyclohexyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide?
The IUPAC name of 1-ethyl-N-[(1R,2S)-2-methylcyclohexyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide (CID 40842866) is 1-ethyl-N-[(1R,2S)-2-methylcyclohexyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(1R,2S)-2-methylcyclohexyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide?
The canonical SMILES for 1-ethyl-N-[(1R,2S)-2-methylcyclohexyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide is CCn1c(=O)c(=O)[nH]c2cc(C(=O)N[C@@H]3CCCC[C@@H]3C)ccc21.
What is the InChIKey of 1-ethyl-N-[(1R,2S)-2-methylcyclohexyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide?
The InChIKey is IOUOYZNZPFUIIN-WCQYABFASA-N. The full InChI is InChI=1S/C18H23N3O3/c1-3-21-15-9-8-12(10-14(15)20-17(23)18(21)24)16(22)19-13-7-5-4-6-11(13)2/h8-11,13H,3-7H2,1-2H3,(H,19,22)(H,20,23)/t11-,13+/m0/s1.
What are the key properties of 1-ethyl-N-[(1R,2S)-2-methylcyclohexyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide?
1-ethyl-N-[(1R,2S)-2-methylcyclohexyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(1R,2S)-2-methylcyclohexyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide is sourced from PubChem (CID 40842866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).