3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[1-hydroxy-2-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethylamino]ethyl]-1,3-oxazolidin-2-one

C24H26N4O6 — CID 68602022

About 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[1-hydroxy-2-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethylamino]ethyl]-1,3-oxazolidin-2-one

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[1-hydroxy-2-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethylamino]ethyl]-1,3-oxazolidin-2-one (PubChem CID 68602022) has the molecular formula C24H26N4O6 and a molecular weight of 466.49 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[1-hydroxy-2-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethylamino]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[1-hydroxy-2-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethylamino]ethyl]-1,3-oxazolidin-2-one
• PubChem CID: 68602022
• Molecular Formula: C24H26N4O6
• Molecular Weight: 466.49 g/mol
• Exact Mass: 466.19
• IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[1-hydroxy-2-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethylamino]ethyl]-1,3-oxazolidin-2-one
• SMILES: COc1ccc2nccc(CCNCC(O)C3CN(c4ccc5c(c4)OCCO5)C(=O)O3)c2n1
• InChI: InChI=1S/C24H26N4O6/c1-31-22-5-3-17-23(27-22)15(7-9-26-17)6-8-25-13-18(29)21-14-28(24(30)34-21)16-2-4-19-20(12-16)33-11-10-32-19/h2-5,7,9,12,18,21,25,29H,6,8,10-11,13-14H2,1H3
• InChIKey: UYDUCHDMQDACBW-UHFFFAOYSA-N
• XLogP: 1.93
• TPSA: 115.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.49
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[1-hydroxy-2-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethylamino]ethyl]-1,3-oxazolidin-2-one?

The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[1-hydroxy-2-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethylamino]ethyl]-1,3-oxazolidin-2-one (CID 68602022) is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[1-hydroxy-2-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethylamino]ethyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[1-hydroxy-2-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethylamino]ethyl]-1,3-oxazolidin-2-one?

The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[1-hydroxy-2-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethylamino]ethyl]-1,3-oxazolidin-2-one is COc1ccc2nccc(CCNCC(O)C3CN(c4ccc5c(c4)OCCO5)C(=O)O3)c2n1.

What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[1-hydroxy-2-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethylamino]ethyl]-1,3-oxazolidin-2-one?

The InChIKey is UYDUCHDMQDACBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O6/c1-31-22-5-3-17-23(27-22)15(7-9-26-17)6-8-25-13-18(29)21-14-28(24(30)34-21)16-2-4-19-20(12-16)33-11-10-32-19/h2-5,7,9,12,18,21,25,29H,6,8,10-11,13-14H2,1H3.

What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[1-hydroxy-2-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethylamino]ethyl]-1,3-oxazolidin-2-one?

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[1-hydroxy-2-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethylamino]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 466.49 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[1-hydroxy-2-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethylamino]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 68602022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).