N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-2-thiophen-2-ylacetamide

C20H22N4O3S — CID 50792075

IUPACN-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-2-thiophen-2-ylacetamide
SMILESCn1c(=O)c(=O)n(C)c2cc(N3CCCC3)c(NC(=O)Cc3cccs3)cc21
InChIInChI=1S/C20H22N4O3S/c1-22-16-11-14(21-18(25)10-13-6-5-9-28-13)15(24-7-3-4-8-24)12-17(16)23(2)20(27)19(22)26/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3,(H,21,25)
InChIKeyVDTZHQRQJJSERW-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.08
Rot. Bonds4

About N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-2-thiophen-2-ylacetamide

N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-2-thiophen-2-ylacetamide (PubChem CID 50792075) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-2-thiophen-2-ylacetamide
PubChem CID50792075
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC NameN-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-2-thiophen-2-ylacetamide
SMILESCn1c(=O)c(=O)n(C)c2cc(N3CCCC3)c(NC(=O)Cc3cccs3)cc21
InChIInChI=1S/C20H22N4O3S/c1-22-16-11-14(21-18(25)10-13-6-5-9-28-13)15(24-7-3-4-8-24)12-17(16)23(2)20(27)19(22)26/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3,(H,21,25)
InChIKeyVDTZHQRQJJSERW-UHFFFAOYSA-N
XLogP2.08
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 17451721
2-cyclohexyl-N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)acetamide
CID 50820460
N,N-diethyl-2-pyrrolidin-1-yl-5-[(2-thiophen-2-ylacetyl)amino]benzamide
CID 1066262
N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 18525283
N-[1,4-dimethyl-7-(4-methylpiperazin-1-yl)-2,3-dioxoquinoxalin-6-yl]acetamide
CID 50792205
2-bromo-N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)benzamide
CID 50791980
N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-thiophen-2-ylacetamide
CID 110713295
N-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 110668031
N-(2-acetamidophenyl)-2-thiophen-2-ylacetamide
CID 1363852
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 7744758
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-thiophen-2-ylacetamide
CID 16841396
N-(2-hydroxyphenyl)-2-thiophen-2-ylacetamide
CID 837925

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-2-thiophen-2-ylacetamide (CID 50792075) is N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-2-thiophen-2-ylacetamide is Cn1c(=O)c(=O)n(C)c2cc(N3CCCC3)c(NC(=O)Cc3cccs3)cc21.
What is the InChIKey of N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-2-thiophen-2-ylacetamide?
The InChIKey is VDTZHQRQJJSERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-22-16-11-14(21-18(25)10-13-6-5-9-28-13)15(24-7-3-4-8-24)12-17(16)23(2)20(27)19(22)26/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3,(H,21,25).
What are the key properties of N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-2-thiophen-2-ylacetamide?
N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-2-thiophen-2-ylacetamide has a molecular weight of 398.49 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 50792075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).