N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide

C20H25N3O3 — CID 43008996

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)NC(C)C3CC4CCC3C4)ccc21
InChIInChI=1S/C20H25N3O3/c1-3-23-17-7-6-14(10-16(17)22-19(25)20(23)26)18(24)21-11(2)15-9-12-4-5-13(15)8-12/h6-7,10-13,15H,3-5,8-9H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyPIVGQEHQPNRFEU-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.26
Rot. Bonds4

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide (PubChem CID 43008996) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
PubChem CID43008996
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)NC(C)C3CC4CCC3C4)ccc21
InChIInChI=1S/C20H25N3O3/c1-3-23-17-7-6-14(10-16(17)22-19(25)20(23)26)18(24)21-11(2)15-9-12-4-5-13(15)8-12/h6-7,10-13,15H,3-5,8-9H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyPIVGQEHQPNRFEU-UHFFFAOYSA-N
XLogP2.26
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(2S)-butan-2-yl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 2557057
N-(2-amino-1-cyclopropylethyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 119616301
1-ethyl-N-(2-methylpiperidin-4-yl)-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 120600709
1-ethyl-2,3-dioxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-quinoxaline-6-carboxamide
CID 27742876
1-ethyl-N-[(1R,2S)-2-methylcyclohexyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 40842866
1-ethyl-N-(3-methyl-1-phenylbutyl)-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 78799420
1-ethyl-N-[(1S)-1-naphthalen-2-ylethyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 40986105
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 51642632
N-(cyclohexylmethyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 2574060
N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-methylbenzamide
CID 98205461
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 129429156
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 N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide (CID 43008996) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide is CCn1c(=O)c(=O)[nH]c2cc(C(=O)NC(C)C3CC4CCC3C4)ccc21.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide?
The InChIKey is PIVGQEHQPNRFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-3-23-17-7-6-14(10-16(17)22-19(25)20(23)26)18(24)21-11(2)15-9-12-4-5-13(15)8-12/h6-7,10-13,15H,3-5,8-9H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide is sourced from PubChem (CID 43008996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).