N-(2-amino-1-cyclopropylethyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide

C16H20N4O3 — CID 119616301

IUPACN-(2-amino-1-cyclopropylethyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)NC(CN)C3CC3)ccc21
InChIInChI=1S/C16H20N4O3/c1-2-20-13-6-5-10(7-11(13)18-15(22)16(20)23)14(21)19-12(8-17)9-3-4-9/h5-7,9,12H,2-4,8,17H2,1H3,(H,18,22)(H,19,21)
InChIKeyPURFGOZOXCBRBU-UHFFFAOYSA-N
MW316.36 g/mol
LogP0.18
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide

N-(2-amino-1-cyclopropylethyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide (PubChem CID 119616301) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
PubChem CID119616301
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC NameN-(2-amino-1-cyclopropylethyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)NC(CN)C3CC3)ccc21
InChIInChI=1S/C16H20N4O3/c1-2-20-13-6-5-10(7-11(13)18-15(22)16(20)23)14(21)19-12(8-17)9-3-4-9/h5-7,9,12H,2-4,8,17H2,1H3,(H,18,22)(H,19,21)
InChIKeyPURFGOZOXCBRBU-UHFFFAOYSA-N
XLogP0.18
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-amino-1-cyclopropylethyl)-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-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 43008996
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
N-(1-amino-2-methylpropan-2-yl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 119523999
N-(cyclohexylmethyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 2574060
1-ethyl-2,3-dioxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-quinoxaline-6-carboxamide
CID 27742876
N-[1-(4-chlorophenyl)propyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 17441845
1-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 120653143
N-(1-amino-2,3-dimethylbutan-2-yl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide;hydrochloride
CID 119607970
1-ethyl-N-[(1S)-1-naphthalen-2-ylethyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 40986105
1-ethyl-N-(2-methylpiperidin-4-yl)-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 120600709

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide (CID 119616301) is N-(2-amino-1-cyclopropylethyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide is CCn1c(=O)c(=O)[nH]c2cc(C(=O)NC(CN)C3CC3)ccc21.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide?
The InChIKey is PURFGOZOXCBRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-2-20-13-6-5-10(7-11(13)18-15(22)16(20)23)14(21)19-12(8-17)9-3-4-9/h5-7,9,12H,2-4,8,17H2,1H3,(H,18,22)(H,19,21).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide?
N-(2-amino-1-cyclopropylethyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide is sourced from PubChem (CID 119616301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).