N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-2-pyridin-4-ylquinoline-4-carboxamide

C26H23N3O3 — CID 34165925

About N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-2-pyridin-4-ylquinoline-4-carboxamide

N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 34165925) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-2-pyridin-4-ylquinoline-4-carboxamide
• PubChem CID: 34165925
• Molecular Formula: C26H23N3O3
• Molecular Weight: 425.49 g/mol
• Exact Mass: 425.17
• IUPAC Name: N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-2-pyridin-4-ylquinoline-4-carboxamide
• SMILES: CCOc1cc2c(cc1NC(=O)c1cc(-c3ccncc3)nc3ccccc13)O[C@@H](C)C2
• InChI: InChI=1S/C26H23N3O3/c1-3-31-25-13-18-12-16(2)32-24(18)15-23(25)29-26(30)20-14-22(17-8-10-27-11-9-17)28-21-7-5-4-6-19(20)21/h4-11,13-16H,3,12H2,1-2H3,(H,29,30)/t16-/m0/s1
• InChIKey: QXLITHSKEXZUHF-INIZCTEOSA-N
• XLogP: 5.27
• TPSA: 73.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	425.49
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-2-pyridin-4-ylquinoline-4-carboxamide (CID 34165925) is N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-2-pyridin-4-ylquinoline-4-carboxamide.

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

The canonical SMILES for N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-2-pyridin-4-ylquinoline-4-carboxamide is CCOc1cc2c(cc1NC(=O)c1cc(-c3ccncc3)nc3ccccc13)O[C@@H](C)C2.

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

The InChIKey is QXLITHSKEXZUHF-INIZCTEOSA-N. The full InChI is InChI=1S/C26H23N3O3/c1-3-31-25-13-18-12-16(2)32-24(18)15-23(25)29-26(30)20-14-22(17-8-10-27-11-9-17)28-21-7-5-4-6-19(20)21/h4-11,13-16H,3,12H2,1-2H3,(H,29,30)/t16-/m0/s1.

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

N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 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]-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 34165925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).