ethyl 2-[[2-[(2R)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate

C22H27N3O4S — CID 41253520

About ethyl 2-[[2-[(2R)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate

ethyl 2-[[2-[(2R)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate (PubChem CID 41253520) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is ethyl 2-[[2-[(2R)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 2-[[2-[(2R)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate
• PubChem CID: 41253520
• Molecular Formula: C22H27N3O4S
• Molecular Weight: 429.54 g/mol
• Exact Mass: 429.17
• IUPAC Name: ethyl 2-[[2-[(2R)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate
• SMILES: CCOC(=O)c1c(NC(=O)C[C@H]2Nc3cc(C)c(C)cc3NC2=O)sc(C)c1CC
• InChI: InChI=1S/C22H27N3O4S/c1-6-14-13(5)30-21(19(14)22(28)29-7-2)25-18(26)10-17-20(27)24-16-9-12(4)11(3)8-15(16)23-17/h8-9,17,23H,6-7,10H2,1-5H3,(H,24,27)(H,25,26)/t17-/m1/s1
• InChIKey: CJIGTPJLZXWXIH-QGZVFWFLSA-N
• XLogP: 4.17
• TPSA: 96.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.54
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[(2R)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate?

The IUPAC name of ethyl 2-[[2-[(2R)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate (CID 41253520) is ethyl 2-[[2-[(2R)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate.

What is the SMILES notation for ethyl 2-[[2-[(2R)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate?

The canonical SMILES for ethyl 2-[[2-[(2R)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)C[C@H]2Nc3cc(C)c(C)cc3NC2=O)sc(C)c1CC.

What is the InChIKey of ethyl 2-[[2-[(2R)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate?

The InChIKey is CJIGTPJLZXWXIH-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-6-14-13(5)30-21(19(14)22(28)29-7-2)25-18(26)10-17-20(27)24-16-9-12(4)11(3)8-15(16)23-17/h8-9,17,23H,6-7,10H2,1-5H3,(H,24,27)(H,25,26)/t17-/m1/s1.

What are the key properties of ethyl 2-[[2-[(2R)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate?

ethyl 2-[[2-[(2R)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate has a molecular weight of 429.54 g/mol, XLogP of 4.17, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[[2-[(2R)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate is sourced from PubChem (CID 41253520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).