3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[[[(3S)-3-hydroxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-1,3-oxazolidin-2-one

C24H26N4O6 — CID 66736510

About 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[[[(3S)-3-hydroxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-1,3-oxazolidin-2-one

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[[[(3S)-3-hydroxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-1,3-oxazolidin-2-one (PubChem CID 66736510) 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-[[[(3S)-3-hydroxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[[[(3S)-3-hydroxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-1,3-oxazolidin-2-one
• PubChem CID: 66736510
• 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-[[[(3S)-3-hydroxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-1,3-oxazolidin-2-one
• SMILES: COc1ccc2nccc([C@@H](O)CCNCC3CN(c4ccc5c(c4)OCCO5)C(=O)O3)c2n1
• InChI: InChI=1S/C24H26N4O6/c1-31-22-5-3-18-23(27-22)17(6-9-26-18)19(29)7-8-25-13-16-14-28(24(30)34-16)15-2-4-20-21(12-15)33-11-10-32-20/h2-6,9,12,16,19,25,29H,7-8,10-11,13-14H2,1H3/t16?,19-/m0/s1
• InChIKey: QTOHCJIWDZRCEW-CVMIBEPCSA-N
• XLogP: 2.45
• 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	2.45
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-[[[(3S)-3-hydroxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-1,3-oxazolidin-2-one?

The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[[[(3S)-3-hydroxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-1,3-oxazolidin-2-one (CID 66736510) is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[[[(3S)-3-hydroxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-1,3-oxazolidin-2-one.

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

The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[[[(3S)-3-hydroxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-1,3-oxazolidin-2-one is COc1ccc2nccc([C@@H](O)CCNCC3CN(c4ccc5c(c4)OCCO5)C(=O)O3)c2n1.

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

The InChIKey is QTOHCJIWDZRCEW-CVMIBEPCSA-N. The full InChI is InChI=1S/C24H26N4O6/c1-31-22-5-3-18-23(27-22)17(6-9-26-18)19(29)7-8-25-13-16-14-28(24(30)34-16)15-2-4-20-21(12-15)33-11-10-32-20/h2-6,9,12,16,19,25,29H,7-8,10-11,13-14H2,1H3/t16?,19-/m0/s1.

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

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[[[(3S)-3-hydroxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-1,3-oxazolidin-2-one has a molecular weight of 466.49 g/mol, XLogP of 2.45, 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-[[[(3S)-3-hydroxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 66736510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).