1-ethyl-2,3-dioxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-4H-quinoxaline-6-carboxamide

C23H22N4O3S — CID 24568998

IUPAC1-ethyl-2,3-dioxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-4H-quinoxaline-6-carboxamide
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3nc(-c4c(C)cc(C)cc4C)cs3)ccc21
InChIInChI=1S/C23H22N4O3S/c1-5-27-18-7-6-15(10-16(18)24-21(29)22(27)30)20(28)26-23-25-17(11-31-23)19-13(3)8-12(2)9-14(19)4/h6-11H,5H2,1-4H3,(H,24,29)(H,25,26,28)
InChIKeyOAFRRFCDQODIEC-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.01
Rot. Bonds4

About 1-ethyl-2,3-dioxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-4H-quinoxaline-6-carboxamide

1-ethyl-2,3-dioxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-4H-quinoxaline-6-carboxamide (PubChem CID 24568998) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is 1-ethyl-2,3-dioxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-4H-quinoxaline-6-carboxamide.

Molecular Properties

Compound Name1-ethyl-2,3-dioxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-4H-quinoxaline-6-carboxamide
PubChem CID24568998
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC Name1-ethyl-2,3-dioxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-4H-quinoxaline-6-carboxamide
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3nc(-c4c(C)cc(C)cc4C)cs3)ccc21
InChIInChI=1S/C23H22N4O3S/c1-5-27-18-7-6-15(10-16(18)24-21(29)22(27)30)20(28)26-23-25-17(11-31-23)19-13(3)8-12(2)9-14(19)4/h6-11H,5H2,1-4H3,(H,24,29)(H,25,26,28)
InChIKeyOAFRRFCDQODIEC-UHFFFAOYSA-N
XLogP4.01
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 32864496
1-ethyl-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 24568371
4-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4220609
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 52659842
N-[(2S)-butan-2-yl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 2557057
1-oxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-2H-isoquinoline-3-carboxamide
CID 9022855
N-(3-chloro-2-methylphenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 26584443
4-acetamido-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide;molecular hydrogen
CID 144822338
3-(methylsulfonylmethyl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 9192718
2-oxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-1H-quinoline-4-carboxamide
CID 7901259
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 24575712
1-ethyl-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxoquinoline-6-carboxamide
CID 42534269

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3-dioxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-4H-quinoxaline-6-carboxamide?
The IUPAC name of 1-ethyl-2,3-dioxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-4H-quinoxaline-6-carboxamide (CID 24568998) is 1-ethyl-2,3-dioxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-4H-quinoxaline-6-carboxamide.
What is the SMILES notation for 1-ethyl-2,3-dioxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-4H-quinoxaline-6-carboxamide?
The canonical SMILES for 1-ethyl-2,3-dioxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-4H-quinoxaline-6-carboxamide is CCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3nc(-c4c(C)cc(C)cc4C)cs3)ccc21.
What is the InChIKey of 1-ethyl-2,3-dioxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-4H-quinoxaline-6-carboxamide?
The InChIKey is OAFRRFCDQODIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-5-27-18-7-6-15(10-16(18)24-21(29)22(27)30)20(28)26-23-25-17(11-31-23)19-13(3)8-12(2)9-14(19)4/h6-11H,5H2,1-4H3,(H,24,29)(H,25,26,28).
What are the key properties of 1-ethyl-2,3-dioxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-4H-quinoxaline-6-carboxamide?
1-ethyl-2,3-dioxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-4H-quinoxaline-6-carboxamide has a molecular weight of 434.52 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3-dioxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-4H-quinoxaline-6-carboxamide is sourced from PubChem (CID 24568998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).