6-fluoro-1-(4-fluorophenyl)-8-methyl-7-(2-methyl-1,3-dihydroisoindol-5-yl)-4-oxoquinoline-3-carboxylic acid

C26H20F2N2O3 — CID 21220366

About 6-fluoro-1-(4-fluorophenyl)-8-methyl-7-(2-methyl-1,3-dihydroisoindol-5-yl)-4-oxoquinoline-3-carboxylic acid

6-fluoro-1-(4-fluorophenyl)-8-methyl-7-(2-methyl-1,3-dihydroisoindol-5-yl)-4-oxoquinoline-3-carboxylic acid (PubChem CID 21220366) has the molecular formula C26H20F2N2O3 and a molecular weight of 446.45 g/mol. Its IUPAC name is 6-fluoro-1-(4-fluorophenyl)-8-methyl-7-(2-methyl-1,3-dihydroisoindol-5-yl)-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

• Compound Name: 6-fluoro-1-(4-fluorophenyl)-8-methyl-7-(2-methyl-1,3-dihydroisoindol-5-yl)-4-oxoquinoline-3-carboxylic acid
• PubChem CID: 21220366
• Molecular Formula: C26H20F2N2O3
• Molecular Weight: 446.45 g/mol
• Exact Mass: 446.14
• IUPAC Name: 6-fluoro-1-(4-fluorophenyl)-8-methyl-7-(2-methyl-1,3-dihydroisoindol-5-yl)-4-oxoquinoline-3-carboxylic acid
• SMILES: Cc1c(-c2ccc3c(c2)CN(C)C3)c(F)cc2c(=O)c(C(=O)O)cn(-c3ccc(F)cc3)c12
• InChI: InChI=1S/C26H20F2N2O3/c1-14-23(15-3-4-16-11-29(2)12-17(16)9-15)22(28)10-20-24(14)30(13-21(25(20)31)26(32)33)19-7-5-18(27)6-8-19/h3-10,13H,11-12H2,1-2H3,(H,32,33)
• InChIKey: CNHAHQGFNIHYRZ-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 62.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.45
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(4-fluorophenyl)-8-methyl-7-(2-methyl-1,3-dihydroisoindol-5-yl)-4-oxoquinoline-3-carboxylic acid?

The IUPAC name of 6-fluoro-1-(4-fluorophenyl)-8-methyl-7-(2-methyl-1,3-dihydroisoindol-5-yl)-4-oxoquinoline-3-carboxylic acid (CID 21220366) is 6-fluoro-1-(4-fluorophenyl)-8-methyl-7-(2-methyl-1,3-dihydroisoindol-5-yl)-4-oxoquinoline-3-carboxylic acid.

What is the SMILES notation for 6-fluoro-1-(4-fluorophenyl)-8-methyl-7-(2-methyl-1,3-dihydroisoindol-5-yl)-4-oxoquinoline-3-carboxylic acid?

The canonical SMILES for 6-fluoro-1-(4-fluorophenyl)-8-methyl-7-(2-methyl-1,3-dihydroisoindol-5-yl)-4-oxoquinoline-3-carboxylic acid is Cc1c(-c2ccc3c(c2)CN(C)C3)c(F)cc2c(=O)c(C(=O)O)cn(-c3ccc(F)cc3)c12.

What is the InChIKey of 6-fluoro-1-(4-fluorophenyl)-8-methyl-7-(2-methyl-1,3-dihydroisoindol-5-yl)-4-oxoquinoline-3-carboxylic acid?

The InChIKey is CNHAHQGFNIHYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F2N2O3/c1-14-23(15-3-4-16-11-29(2)12-17(16)9-15)22(28)10-20-24(14)30(13-21(25(20)31)26(32)33)19-7-5-18(27)6-8-19/h3-10,13H,11-12H2,1-2H3,(H,32,33).

What are the key properties of 6-fluoro-1-(4-fluorophenyl)-8-methyl-7-(2-methyl-1,3-dihydroisoindol-5-yl)-4-oxoquinoline-3-carboxylic acid?

6-fluoro-1-(4-fluorophenyl)-8-methyl-7-(2-methyl-1,3-dihydroisoindol-5-yl)-4-oxoquinoline-3-carboxylic acid has a molecular weight of 446.45 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-1-(4-fluorophenyl)-8-methyl-7-(2-methyl-1,3-dihydroisoindol-5-yl)-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 21220366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).