N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C22H24N2O4 — CID 24603625

About N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 24603625) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

• Compound Name: N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
• PubChem CID: 24603625
• Molecular Formula: C22H24N2O4
• Molecular Weight: 380.44 g/mol
• Exact Mass: 380.17
• IUPAC Name: N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
• SMILES: CCOc1cc2c(cc1CNC(=O)C1CC(=O)Nc3ccccc31)OC(C)C2
• InChI: InChI=1S/C22H24N2O4/c1-3-27-19-9-14-8-13(2)28-20(14)10-15(19)12-23-22(26)17-11-21(25)24-18-7-5-4-6-16(17)18/h4-7,9-10,13,17H,3,8,11-12H2,1-2H3,(H,23,26)(H,24,25)
• InChIKey: ZSVWEUPKFCLRLW-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 76.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.44
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?

The IUPAC name of N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 24603625) is N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

What is the SMILES notation for N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?

The canonical SMILES for N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is CCOc1cc2c(cc1CNC(=O)C1CC(=O)Nc3ccccc31)OC(C)C2.

What is the InChIKey of N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?

The InChIKey is ZSVWEUPKFCLRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-3-27-19-9-14-8-13(2)28-20(14)10-15(19)12-23-22(26)17-11-21(25)24-18-7-5-4-6-16(17)18/h4-7,9-10,13,17H,3,8,11-12H2,1-2H3,(H,23,26)(H,24,25).

What are the key properties of N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?

N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 380.44 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 24603625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).