2-[2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione

C20H17FN2O3 — CID 2932548

About 2-[2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione

2-[2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione (PubChem CID 2932548) has the molecular formula C20H17FN2O3 and a molecular weight of 352.37 g/mol. Its IUPAC name is 2-[2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-[2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione
• PubChem CID: 2932548
• Molecular Formula: C20H17FN2O3
• Molecular Weight: 352.37 g/mol
• Exact Mass: 352.12
• IUPAC Name: 2-[2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione
• SMILES: CC1CCc2cc(F)ccc2N1C(=O)CN1C(=O)c2ccccc2C1=O
• InChI: InChI=1S/C20H17FN2O3/c1-12-6-7-13-10-14(21)8-9-17(13)23(12)18(24)11-22-19(25)15-4-2-3-5-16(15)20(22)26/h2-5,8-10,12H,6-7,11H2,1H3
• InChIKey: VXLCTYCNPCKCHJ-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 57.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.37
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione?

The IUPAC name of 2-[2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione (CID 2932548) is 2-[2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione.

What is the SMILES notation for 2-[2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione?

The canonical SMILES for 2-[2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione is CC1CCc2cc(F)ccc2N1C(=O)CN1C(=O)c2ccccc2C1=O.

What is the InChIKey of 2-[2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione?

The InChIKey is VXLCTYCNPCKCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3/c1-12-6-7-13-10-14(21)8-9-17(13)23(12)18(24)11-22-19(25)15-4-2-3-5-16(15)20(22)26/h2-5,8-10,12H,6-7,11H2,1H3.

What are the key properties of 2-[2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione?

2-[2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione has a molecular weight of 352.37 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione is sourced from PubChem (CID 2932548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).