N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide

C23H25N3O4 — CID 34167641

About N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide

N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide (PubChem CID 34167641) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
• PubChem CID: 34167641
• Molecular Formula: C23H25N3O4
• Molecular Weight: 407.47 g/mol
• Exact Mass: 407.18
• IUPAC Name: N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
• SMILES: CCOc1cc2c(cc1NC(=O)c1ccc3c(c1)nc(C)c(=O)n3CC)O[C@@H](C)C2
• InChI: InChI=1S/C23H25N3O4/c1-5-26-19-8-7-15(10-17(19)24-14(4)23(26)28)22(27)25-18-12-20-16(9-13(3)30-20)11-21(18)29-6-2/h7-8,10-13H,5-6,9H2,1-4H3,(H,25,27)/t13-/m0/s1
• InChIKey: AVFHWXUNWJEUIT-ZDUSSCGKSA-N
• XLogP: 3.70
• TPSA: 82.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.47
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide?

The IUPAC name of N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide (CID 34167641) is N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide.

What is the SMILES notation for N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide?

The canonical SMILES for N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide is CCOc1cc2c(cc1NC(=O)c1ccc3c(c1)nc(C)c(=O)n3CC)O[C@@H](C)C2.

What is the InChIKey of N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide?

The InChIKey is AVFHWXUNWJEUIT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-5-26-19-8-7-15(10-17(19)24-14(4)23(26)28)22(27)25-18-12-20-16(9-13(3)30-20)11-21(18)29-6-2/h7-8,10-13H,5-6,9H2,1-4H3,(H,25,27)/t13-/m0/s1.

What are the key properties of N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide?

N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide is sourced from PubChem (CID 34167641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).