7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid

C24H16F2N2O3 — CID 21220312

About 7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid

7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid (PubChem CID 21220312) has the molecular formula C24H16F2N2O3 and a molecular weight of 418.40 g/mol. Its IUPAC name is 7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

• Compound Name: 7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid
• PubChem CID: 21220312
• Molecular Formula: C24H16F2N2O3
• Molecular Weight: 418.40 g/mol
• Exact Mass: 418.11
• IUPAC Name: 7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid
• SMILES: O=C(O)c1cn(-c2ccc(F)cc2)c2cc(-c3ccc4c(c3)CNC4)c(F)cc2c1=O
• InChI: InChI=1S/C24H16F2N2O3/c25-16-3-5-17(6-4-16)28-12-20(24(30)31)23(29)19-8-21(26)18(9-22(19)28)13-1-2-14-10-27-11-15(14)7-13/h1-9,12,27H,10-11H2,(H,30,31)
• InChIKey: YZPLRDCOJFNJQP-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 71.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.40
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid?

The IUPAC name of 7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid (CID 21220312) is 7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid.

What is the SMILES notation for 7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid?

The canonical SMILES for 7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid is O=C(O)c1cn(-c2ccc(F)cc2)c2cc(-c3ccc4c(c3)CNC4)c(F)cc2c1=O.

What is the InChIKey of 7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid?

The InChIKey is YZPLRDCOJFNJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F2N2O3/c25-16-3-5-17(6-4-16)28-12-20(24(30)31)23(29)19-8-21(26)18(9-22(19)28)13-1-2-14-10-27-11-15(14)7-13/h1-9,12,27H,10-11H2,(H,30,31).

What are the key properties of 7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid?

7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid has a molecular weight of 418.40 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 21220312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).