1-ethyl-N-methyl-2,3-dioxo-N-pyrrolidin-3-yl-4H-quinoxaline-6-carboxamide

C16H20N4O3 — CID 119553318

IUPAC1-ethyl-N-methyl-2,3-dioxo-N-pyrrolidin-3-yl-4H-quinoxaline-6-carboxamide
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)N(C)C3CCNC3)ccc21
InChIInChI=1S/C16H20N4O3/c1-3-20-13-5-4-10(8-12(13)18-14(21)16(20)23)15(22)19(2)11-6-7-17-9-11/h4-5,8,11,17H,3,6-7,9H2,1-2H3,(H,18,21)
InChIKeyOMGCFGAEDUXCMV-UHFFFAOYSA-N
MW316.36 g/mol
LogP0.14
Rot. Bonds3

About 1-ethyl-N-methyl-2,3-dioxo-N-pyrrolidin-3-yl-4H-quinoxaline-6-carboxamide

1-ethyl-N-methyl-2,3-dioxo-N-pyrrolidin-3-yl-4H-quinoxaline-6-carboxamide (PubChem CID 119553318) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-ethyl-N-methyl-2,3-dioxo-N-pyrrolidin-3-yl-4H-quinoxaline-6-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-methyl-2,3-dioxo-N-pyrrolidin-3-yl-4H-quinoxaline-6-carboxamide
PubChem CID119553318
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name1-ethyl-N-methyl-2,3-dioxo-N-pyrrolidin-3-yl-4H-quinoxaline-6-carboxamide
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)N(C)C3CCNC3)ccc21
InChIInChI=1S/C16H20N4O3/c1-3-20-13-5-4-10(8-12(13)18-14(21)16(20)23)15(22)19(2)11-6-7-17-9-11/h4-5,8,11,17H,3,6-7,9H2,1-2H3,(H,18,21)
InChIKeyOMGCFGAEDUXCMV-UHFFFAOYSA-N
XLogP0.14
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-methyl-2,3-dioxo-N-pyrrolidin-3-yl-4H-quinoxaline-6-carboxamide?
The IUPAC name of 1-ethyl-N-methyl-2,3-dioxo-N-pyrrolidin-3-yl-4H-quinoxaline-6-carboxamide (CID 119553318) is 1-ethyl-N-methyl-2,3-dioxo-N-pyrrolidin-3-yl-4H-quinoxaline-6-carboxamide.
What is the SMILES notation for 1-ethyl-N-methyl-2,3-dioxo-N-pyrrolidin-3-yl-4H-quinoxaline-6-carboxamide?
The canonical SMILES for 1-ethyl-N-methyl-2,3-dioxo-N-pyrrolidin-3-yl-4H-quinoxaline-6-carboxamide is CCn1c(=O)c(=O)[nH]c2cc(C(=O)N(C)C3CCNC3)ccc21.
What is the InChIKey of 1-ethyl-N-methyl-2,3-dioxo-N-pyrrolidin-3-yl-4H-quinoxaline-6-carboxamide?
The InChIKey is OMGCFGAEDUXCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-3-20-13-5-4-10(8-12(13)18-14(21)16(20)23)15(22)19(2)11-6-7-17-9-11/h4-5,8,11,17H,3,6-7,9H2,1-2H3,(H,18,21).
What are the key properties of 1-ethyl-N-methyl-2,3-dioxo-N-pyrrolidin-3-yl-4H-quinoxaline-6-carboxamide?
1-ethyl-N-methyl-2,3-dioxo-N-pyrrolidin-3-yl-4H-quinoxaline-6-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-methyl-2,3-dioxo-N-pyrrolidin-3-yl-4H-quinoxaline-6-carboxamide is sourced from PubChem (CID 119553318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).