1-ethyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide

C22H22N4O4 — CID 24613478

IUPAC1-ethyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3ccc(N4CCCC4=O)c(C)c3)ccc21
InChIInChI=1S/C22H22N4O4/c1-3-25-18-8-6-14(12-16(18)24-21(29)22(25)30)20(28)23-15-7-9-17(13(2)11-15)26-10-4-5-19(26)27/h6-9,11-12H,3-5,10H2,1-2H3,(H,23,28)(H,24,29)
InChIKeyGVVHGXFOEBJWQS-UHFFFAOYSA-N
MW406.44 g/mol
LogP2.40
Rot. Bonds4

About 1-ethyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide

1-ethyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide (PubChem CID 24613478) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is 1-ethyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
PubChem CID24613478
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name1-ethyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3ccc(N4CCCC4=O)c(C)c3)ccc21
InChIInChI=1S/C22H22N4O4/c1-3-25-18-8-6-14(12-16(18)24-21(29)22(25)30)20(28)23-15-7-9-17(13(2)11-15)26-10-4-5-19(26)27/h6-9,11-12H,3-5,10H2,1-2H3,(H,23,28)(H,24,29)
InChIKeyGVVHGXFOEBJWQS-UHFFFAOYSA-N
XLogP2.40
TPSA104.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoic acid
CID 45393767
1-ethyl-2,3-dioxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-4H-quinoxaline-6-carboxamide
CID 46417026
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18204867
3-(ethylsulfamoyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 24613493
N-(3-chloro-4-fluorophenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 26365670
4-butyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 24601128
3-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-morpholin-4-ylbenzamide
CID 131952772
2,3-dimethyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 42140218
2-bromo-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686588
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 7686708
1-ethyl-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 30859500
N-(3-chloro-2-methylphenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 26584443

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide?
The IUPAC name of 1-ethyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide (CID 24613478) is 1-ethyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide.
What is the SMILES notation for 1-ethyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide?
The canonical SMILES for 1-ethyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide is CCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3ccc(N4CCCC4=O)c(C)c3)ccc21.
What is the InChIKey of 1-ethyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide?
The InChIKey is GVVHGXFOEBJWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-3-25-18-8-6-14(12-16(18)24-21(29)22(25)30)20(28)23-15-7-9-17(13(2)11-15)26-10-4-5-19(26)27/h6-9,11-12H,3-5,10H2,1-2H3,(H,23,28)(H,24,29).
What are the key properties of 1-ethyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide?
1-ethyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide has a molecular weight of 406.44 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide is sourced from PubChem (CID 24613478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).