1-benzyl-3-methyl-2-oxo-N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide

C22H19N3O2S — CID 53058343

IUPAC1-benzyl-3-methyl-2-oxo-N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide
SMILESCc1nc2cc(C(=O)NCc3cccs3)ccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C22H19N3O2S/c1-15-22(27)25(14-16-6-3-2-4-7-16)20-10-9-17(12-19(20)24-15)21(26)23-13-18-8-5-11-28-18/h2-12H,13-14H2,1H3,(H,23,26)
InChIKeyXTKKVIUXYXUEDL-UHFFFAOYSA-N
MW389.48 g/mol
LogP3.74
Rot. Bonds5

About 1-benzyl-3-methyl-2-oxo-N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide

1-benzyl-3-methyl-2-oxo-N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide (PubChem CID 53058343) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is 1-benzyl-3-methyl-2-oxo-N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide.

Molecular Properties

Compound Name1-benzyl-3-methyl-2-oxo-N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide
PubChem CID53058343
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC Name1-benzyl-3-methyl-2-oxo-N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide
SMILESCc1nc2cc(C(=O)NCc3cccs3)ccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C22H19N3O2S/c1-15-22(27)25(14-16-6-3-2-4-7-16)20-10-9-17(12-19(20)24-15)21(26)23-13-18-8-5-11-28-18/h2-12H,13-14H2,1H3,(H,23,26)
InChIKeyXTKKVIUXYXUEDL-UHFFFAOYSA-N
XLogP3.74
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-[2-(4-chlorophenyl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 53005123
1-benzyl-N-(3-ethoxypropyl)-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 53058345
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 34306532
1-benzyl-3-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]-2-oxoquinoxaline-6-carboxamide
CID 53058393
1-benzyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 53058369
1-ethyl-3-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoxaline-6-carboxamide
CID 9455424
1-ethyl-3-methyl-2-oxo-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]quinoxaline-6-carboxamide
CID 31954457
N-[(3-chlorophenyl)methyl]-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide
CID 46324645
5-[(3-methylphenyl)methyl]-4-oxo-N-(thiophen-2-ylmethyl)pyrrolo[1,2-a]quinoxaline-7-carboxamide
CID 23910482
1-benzyl-3-methyl-N-[[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-oxoquinoxaline-6-carboxamide
CID 95065840
1-benzyl-3-methyl-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-oxoquinoxaline-6-carboxamide
CID 95065821
1-ethyl-3-methyl-N-[(5-methylfuran-2-yl)methyl]-2-oxoquinoxaline-6-carboxamide
CID 53058290

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methyl-2-oxo-N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide?
The IUPAC name of 1-benzyl-3-methyl-2-oxo-N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide (CID 53058343) is 1-benzyl-3-methyl-2-oxo-N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide.
What is the SMILES notation for 1-benzyl-3-methyl-2-oxo-N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide?
The canonical SMILES for 1-benzyl-3-methyl-2-oxo-N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide is Cc1nc2cc(C(=O)NCc3cccs3)ccc2n(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-3-methyl-2-oxo-N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide?
The InChIKey is XTKKVIUXYXUEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-15-22(27)25(14-16-6-3-2-4-7-16)20-10-9-17(12-19(20)24-15)21(26)23-13-18-8-5-11-28-18/h2-12H,13-14H2,1H3,(H,23,26).
What are the key properties of 1-benzyl-3-methyl-2-oxo-N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide?
1-benzyl-3-methyl-2-oxo-N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methyl-2-oxo-N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide is sourced from PubChem (CID 53058343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).