2,3-dimethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]quinoxaline-6-carboxamide

C17H19N5OS — CID 72936192

IUPAC2,3-dimethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]quinoxaline-6-carboxamide
SMILESCSc1ncc(CNC(=O)c2ccc3nc(C)c(C)nc3c2)n1C
InChIInChI=1S/C17H19N5OS/c1-10-11(2)21-15-7-12(5-6-14(15)20-10)16(23)18-8-13-9-19-17(24-4)22(13)3/h5-7,9H,8H2,1-4H3,(H,18,23)
InChIKeyBWBQAGVJECAPHW-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.63
Rot. Bonds4

About 2,3-dimethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]quinoxaline-6-carboxamide

2,3-dimethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]quinoxaline-6-carboxamide (PubChem CID 72936192) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is 2,3-dimethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]quinoxaline-6-carboxamide
PubChem CID72936192
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name2,3-dimethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]quinoxaline-6-carboxamide
SMILESCSc1ncc(CNC(=O)c2ccc3nc(C)c(C)nc3c2)n1C
InChIInChI=1S/C17H19N5OS/c1-10-11(2)21-15-7-12(5-6-14(15)20-10)16(23)18-8-13-9-19-17(24-4)22(13)3/h5-7,9H,8H2,1-4H3,(H,18,23)
InChIKeyBWBQAGVJECAPHW-UHFFFAOYSA-N
XLogP2.63
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-3-ethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 70715990
N-[(4-fluorophenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 4253499
2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]quinoxaline-6-carboxamide
CID 110440656
5-acetyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]thiophene-2-carboxamide
CID 131940296
2,3-dimethyl-N-(quinolin-3-ylmethyl)quinoxaline-6-carboxamide
CID 110745511
3,6-dimethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-1-benzofuran-2-carboxamide
CID 70711712
N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 72939783
N-[(3,5-dimethoxyphenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110672503
N-[(3-bromo-5-fluorophenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 55907266
2,3-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]quinoxaline-6-carboxamide
CID 55703032
1-(2-methoxyphenyl)-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]pyrazole-4-carboxamide
CID 70712336
2,3-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]quinoxaline-6-carboxamide
CID 108542144

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]quinoxaline-6-carboxamide?
The IUPAC name of 2,3-dimethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]quinoxaline-6-carboxamide (CID 72936192) is 2,3-dimethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]quinoxaline-6-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]quinoxaline-6-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]quinoxaline-6-carboxamide is CSc1ncc(CNC(=O)c2ccc3nc(C)c(C)nc3c2)n1C.
What is the InChIKey of 2,3-dimethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]quinoxaline-6-carboxamide?
The InChIKey is BWBQAGVJECAPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-10-11(2)21-15-7-12(5-6-14(15)20-10)16(23)18-8-13-9-19-17(24-4)22(13)3/h5-7,9H,8H2,1-4H3,(H,18,23).
What are the key properties of 2,3-dimethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]quinoxaline-6-carboxamide?
2,3-dimethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]quinoxaline-6-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 72936192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).