1-ethyl-3-methyl-2-oxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]quinoxaline-6-carboxamide

C24H22N4O2S — CID 36542675

IUPAC1-ethyl-3-methyl-2-oxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]quinoxaline-6-carboxamide
SMILESCCn1c(=O)c(C)nc2cc(C(=O)Nc3ccc(SCc4cccnc4)cc3)ccc21
InChIInChI=1S/C24H22N4O2S/c1-3-28-22-11-6-18(13-21(22)26-16(2)24(28)30)23(29)27-19-7-9-20(10-8-19)31-15-17-5-4-12-25-14-17/h4-14H,3,15H2,1-2H3,(H,27,29)
InChIKeyMDZOAOPQHMXLMW-UHFFFAOYSA-N
MW430.53 g/mol
LogP4.66
Rot. Bonds6

About 1-ethyl-3-methyl-2-oxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]quinoxaline-6-carboxamide

1-ethyl-3-methyl-2-oxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]quinoxaline-6-carboxamide (PubChem CID 36542675) has the molecular formula C24H22N4O2S and a molecular weight of 430.53 g/mol. Its IUPAC name is 1-ethyl-3-methyl-2-oxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound Name1-ethyl-3-methyl-2-oxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]quinoxaline-6-carboxamide
PubChem CID36542675
Molecular FormulaC24H22N4O2S
Molecular Weight430.53 g/mol
Exact Mass430.15
IUPAC Name1-ethyl-3-methyl-2-oxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]quinoxaline-6-carboxamide
SMILESCCn1c(=O)c(C)nc2cc(C(=O)Nc3ccc(SCc4cccnc4)cc3)ccc21
InChIInChI=1S/C24H22N4O2S/c1-3-28-22-11-6-18(13-21(22)26-16(2)24(28)30)23(29)27-19-7-9-20(10-8-19)31-15-17-5-4-12-25-14-17/h4-14H,3,15H2,1-2H3,(H,27,29)
InChIKeyMDZOAOPQHMXLMW-UHFFFAOYSA-N
XLogP4.66
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-acetylphenyl)-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 7992599
9-oxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]fluorene-2-carboxamide
CID 24620063
4-(5-methylpyrazol-1-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide
CID 46669066
1-ethyl-N-(4-methoxy-3-methylsulfanylphenyl)-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 166236492
1-ethyl-3-methyl-N-(4-methyl-2-pyridinyl)-2-oxoquinoxaline-6-carboxamide
CID 35029668
N-benzhydryl-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 7580923
1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylic acid
CID 4962182
5-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-1-benzofuran-2-carboxamide
CID 55929053
1-ethyl-3-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)quinoxaline-6-carboxamide
CID 24655019
5,7-dimethyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 39985596
1-ethyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 7579696
1-ethyl-3-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoxaline-6-carboxamide
CID 9455424

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-2-oxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]quinoxaline-6-carboxamide?
The IUPAC name of 1-ethyl-3-methyl-2-oxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]quinoxaline-6-carboxamide (CID 36542675) is 1-ethyl-3-methyl-2-oxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]quinoxaline-6-carboxamide.
What is the SMILES notation for 1-ethyl-3-methyl-2-oxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]quinoxaline-6-carboxamide?
The canonical SMILES for 1-ethyl-3-methyl-2-oxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]quinoxaline-6-carboxamide is CCn1c(=O)c(C)nc2cc(C(=O)Nc3ccc(SCc4cccnc4)cc3)ccc21.
What is the InChIKey of 1-ethyl-3-methyl-2-oxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]quinoxaline-6-carboxamide?
The InChIKey is MDZOAOPQHMXLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2S/c1-3-28-22-11-6-18(13-21(22)26-16(2)24(28)30)23(29)27-19-7-9-20(10-8-19)31-15-17-5-4-12-25-14-17/h4-14H,3,15H2,1-2H3,(H,27,29).
What are the key properties of 1-ethyl-3-methyl-2-oxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]quinoxaline-6-carboxamide?
1-ethyl-3-methyl-2-oxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]quinoxaline-6-carboxamide has a molecular weight of 430.53 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-2-oxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 36542675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).