1-ethyl-N-(4-methoxy-3-methylsulfanylphenyl)-3-methyl-2-oxoquinoxaline-6-carboxamide

C20H21N3O3S — CID 166236492

IUPAC1-ethyl-N-(4-methoxy-3-methylsulfanylphenyl)-3-methyl-2-oxoquinoxaline-6-carboxamide
SMILESCCn1c(=O)c(C)nc2cc(C(=O)Nc3ccc(OC)c(SC)c3)ccc21
InChIInChI=1S/C20H21N3O3S/c1-5-23-16-8-6-13(10-15(16)21-12(2)20(23)25)19(24)22-14-7-9-17(26-3)18(11-14)27-4/h6-11H,5H2,1-4H3,(H,22,24)
InChIKeyKAJMINJKZKNLQW-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.71
Rot. Bonds5

About 1-ethyl-N-(4-methoxy-3-methylsulfanylphenyl)-3-methyl-2-oxoquinoxaline-6-carboxamide

1-ethyl-N-(4-methoxy-3-methylsulfanylphenyl)-3-methyl-2-oxoquinoxaline-6-carboxamide (PubChem CID 166236492) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 1-ethyl-N-(4-methoxy-3-methylsulfanylphenyl)-3-methyl-2-oxoquinoxaline-6-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(4-methoxy-3-methylsulfanylphenyl)-3-methyl-2-oxoquinoxaline-6-carboxamide
PubChem CID166236492
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name1-ethyl-N-(4-methoxy-3-methylsulfanylphenyl)-3-methyl-2-oxoquinoxaline-6-carboxamide
SMILESCCn1c(=O)c(C)nc2cc(C(=O)Nc3ccc(OC)c(SC)c3)ccc21
InChIInChI=1S/C20H21N3O3S/c1-5-23-16-8-6-13(10-15(16)21-12(2)20(23)25)19(24)22-14-7-9-17(26-3)18(11-14)27-4/h6-11H,5H2,1-4H3,(H,22,24)
InChIKeyKAJMINJKZKNLQW-UHFFFAOYSA-N
XLogP3.71
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.71
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
1-ethyl-3-methyl-2-oxo-N-pentan-2-ylquinoxaline-6-carboxamide
CID 46684618
1-ethyl-3-methyl-N-(5-methylhexan-2-yl)-2-oxoquinoxaline-6-carboxamide
CID 24659166
1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylic acid
CID 4962182
1-ethyl-3-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)quinoxaline-6-carboxamide
CID 24655019
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 7990878
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-oxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]quinoxaline-6-carboxamide
CID 36542675
1-ethyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 7579696
3-oxobutan-2-yl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 46819421
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-N-(4-methoxy-3-methylsulfanylphenyl)-3-methyl-2-oxoquinoxaline-6-carboxamide?
The IUPAC name of 1-ethyl-N-(4-methoxy-3-methylsulfanylphenyl)-3-methyl-2-oxoquinoxaline-6-carboxamide (CID 166236492) is 1-ethyl-N-(4-methoxy-3-methylsulfanylphenyl)-3-methyl-2-oxoquinoxaline-6-carboxamide.
What is the SMILES notation for 1-ethyl-N-(4-methoxy-3-methylsulfanylphenyl)-3-methyl-2-oxoquinoxaline-6-carboxamide?
The canonical SMILES for 1-ethyl-N-(4-methoxy-3-methylsulfanylphenyl)-3-methyl-2-oxoquinoxaline-6-carboxamide is CCn1c(=O)c(C)nc2cc(C(=O)Nc3ccc(OC)c(SC)c3)ccc21.
What is the InChIKey of 1-ethyl-N-(4-methoxy-3-methylsulfanylphenyl)-3-methyl-2-oxoquinoxaline-6-carboxamide?
The InChIKey is KAJMINJKZKNLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-5-23-16-8-6-13(10-15(16)21-12(2)20(23)25)19(24)22-14-7-9-17(26-3)18(11-14)27-4/h6-11H,5H2,1-4H3,(H,22,24).
What are the key properties of 1-ethyl-N-(4-methoxy-3-methylsulfanylphenyl)-3-methyl-2-oxoquinoxaline-6-carboxamide?
1-ethyl-N-(4-methoxy-3-methylsulfanylphenyl)-3-methyl-2-oxoquinoxaline-6-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(4-methoxy-3-methylsulfanylphenyl)-3-methyl-2-oxoquinoxaline-6-carboxamide is sourced from PubChem (CID 166236492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).