(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[4-(6-methoxyquinolin-4-yl)oxybut-2-enyl]-1,3-oxazolidin-2-one

C25H24N2O6 — CID 66737251

About (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[4-(6-methoxyquinolin-4-yl)oxybut-2-enyl]-1,3-oxazolidin-2-one

(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[4-(6-methoxyquinolin-4-yl)oxybut-2-enyl]-1,3-oxazolidin-2-one (PubChem CID 66737251) has the molecular formula C25H24N2O6 and a molecular weight of 448.48 g/mol. Its IUPAC name is (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[4-(6-methoxyquinolin-4-yl)oxybut-2-enyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[4-(6-methoxyquinolin-4-yl)oxybut-2-enyl]-1,3-oxazolidin-2-one
• PubChem CID: 66737251
• Molecular Formula: C25H24N2O6
• Molecular Weight: 448.48 g/mol
• Exact Mass: 448.16
• IUPAC Name: (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[4-(6-methoxyquinolin-4-yl)oxybut-2-enyl]-1,3-oxazolidin-2-one
• SMILES: COc1ccc2nccc(OCC=CC[C@@H]3CN(c4ccc5c(c4)OCCO5)C(=O)O3)c2c1
• InChI: InChI=1S/C25H24N2O6/c1-29-18-6-7-21-20(15-18)22(9-10-26-21)30-11-3-2-4-19-16-27(25(28)33-19)17-5-8-23-24(14-17)32-13-12-31-23/h2-3,5-10,14-15,19H,4,11-13,16H2,1H3/t19-/m1/s1
• InChIKey: PUVYNLFFOUUZCT-LJQANCHMSA-N
• XLogP: 4.37
• TPSA: 79.35 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.48
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[4-(6-methoxyquinolin-4-yl)oxybut-2-enyl]-1,3-oxazolidin-2-one?

The IUPAC name of (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[4-(6-methoxyquinolin-4-yl)oxybut-2-enyl]-1,3-oxazolidin-2-one (CID 66737251) is (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[4-(6-methoxyquinolin-4-yl)oxybut-2-enyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[4-(6-methoxyquinolin-4-yl)oxybut-2-enyl]-1,3-oxazolidin-2-one?

The canonical SMILES for (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[4-(6-methoxyquinolin-4-yl)oxybut-2-enyl]-1,3-oxazolidin-2-one is COc1ccc2nccc(OCC=CC[C@@H]3CN(c4ccc5c(c4)OCCO5)C(=O)O3)c2c1.

What is the InChIKey of (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[4-(6-methoxyquinolin-4-yl)oxybut-2-enyl]-1,3-oxazolidin-2-one?

The InChIKey is PUVYNLFFOUUZCT-LJQANCHMSA-N. The full InChI is InChI=1S/C25H24N2O6/c1-29-18-6-7-21-20(15-18)22(9-10-26-21)30-11-3-2-4-19-16-27(25(28)33-19)17-5-8-23-24(14-17)32-13-12-31-23/h2-3,5-10,14-15,19H,4,11-13,16H2,1H3/t19-/m1/s1.

What are the key properties of (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[4-(6-methoxyquinolin-4-yl)oxybut-2-enyl]-1,3-oxazolidin-2-one?

(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[4-(6-methoxyquinolin-4-yl)oxybut-2-enyl]-1,3-oxazolidin-2-one has a molecular weight of 448.48 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[4-(6-methoxyquinolin-4-yl)oxybut-2-enyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 66737251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).