3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[3-[(7-fluoro-2-methoxyquinolin-8-yl)methoxy]propyl]-1,3-oxazolidin-2-one

C25H25FN2O6 — CID 66736990

About 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[3-[(7-fluoro-2-methoxyquinolin-8-yl)methoxy]propyl]-1,3-oxazolidin-2-one

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[3-[(7-fluoro-2-methoxyquinolin-8-yl)methoxy]propyl]-1,3-oxazolidin-2-one (PubChem CID 66736990) has the molecular formula C25H25FN2O6 and a molecular weight of 468.48 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[3-[(7-fluoro-2-methoxyquinolin-8-yl)methoxy]propyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[3-[(7-fluoro-2-methoxyquinolin-8-yl)methoxy]propyl]-1,3-oxazolidin-2-one
• PubChem CID: 66736990
• Molecular Formula: C25H25FN2O6
• Molecular Weight: 468.48 g/mol
• Exact Mass: 468.17
• IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[3-[(7-fluoro-2-methoxyquinolin-8-yl)methoxy]propyl]-1,3-oxazolidin-2-one
• SMILES: COc1ccc2ccc(F)c(COCCCC3CN(c4ccc5c(c4)OCCO5)C(=O)O3)c2n1
• InChI: InChI=1S/C25H25FN2O6/c1-30-23-9-5-16-4-7-20(26)19(24(16)27-23)15-31-10-2-3-18-14-28(25(29)34-18)17-6-8-21-22(13-17)33-12-11-32-21/h4-9,13,18H,2-3,10-12,14-15H2,1H3
• InChIKey: RYUXXJGXBGRUSN-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 79.35 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.48
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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-[3-[(7-fluoro-2-methoxyquinolin-8-yl)methoxy]propyl]-1,3-oxazolidin-2-one?

The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[3-[(7-fluoro-2-methoxyquinolin-8-yl)methoxy]propyl]-1,3-oxazolidin-2-one (CID 66736990) is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[3-[(7-fluoro-2-methoxyquinolin-8-yl)methoxy]propyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[3-[(7-fluoro-2-methoxyquinolin-8-yl)methoxy]propyl]-1,3-oxazolidin-2-one?

The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[3-[(7-fluoro-2-methoxyquinolin-8-yl)methoxy]propyl]-1,3-oxazolidin-2-one is COc1ccc2ccc(F)c(COCCCC3CN(c4ccc5c(c4)OCCO5)C(=O)O3)c2n1.

What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[3-[(7-fluoro-2-methoxyquinolin-8-yl)methoxy]propyl]-1,3-oxazolidin-2-one?

The InChIKey is RYUXXJGXBGRUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O6/c1-30-23-9-5-16-4-7-20(26)19(24(16)27-23)15-31-10-2-3-18-14-28(25(29)34-18)17-6-8-21-22(13-17)33-12-11-32-21/h4-9,13,18H,2-3,10-12,14-15H2,1H3.

What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[3-[(7-fluoro-2-methoxyquinolin-8-yl)methoxy]propyl]-1,3-oxazolidin-2-one?

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[3-[(7-fluoro-2-methoxyquinolin-8-yl)methoxy]propyl]-1,3-oxazolidin-2-one has a molecular weight of 468.48 g/mol, XLogP of 4.48, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[3-[(7-fluoro-2-methoxyquinolin-8-yl)methoxy]propyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 66736990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).