7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-8-methyl-1-(1,2-oxazol-3-yl)-4-oxoquinoline-3-carboxylic acid

C22H16FN3O4 — CID 21220375

About 7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-8-methyl-1-(1,2-oxazol-3-yl)-4-oxoquinoline-3-carboxylic acid

7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-8-methyl-1-(1,2-oxazol-3-yl)-4-oxoquinoline-3-carboxylic acid (PubChem CID 21220375) has the molecular formula C22H16FN3O4 and a molecular weight of 405.39 g/mol. Its IUPAC name is 7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-8-methyl-1-(1,2-oxazol-3-yl)-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

• Compound Name: 7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-8-methyl-1-(1,2-oxazol-3-yl)-4-oxoquinoline-3-carboxylic acid
• PubChem CID: 21220375
• Molecular Formula: C22H16FN3O4
• Molecular Weight: 405.39 g/mol
• Exact Mass: 405.11
• IUPAC Name: 7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-8-methyl-1-(1,2-oxazol-3-yl)-4-oxoquinoline-3-carboxylic acid
• SMILES: Cc1c(-c2ccc3c(c2)CNC3)c(F)cc2c(=O)c(C(=O)O)cn(-c3ccon3)c12
• InChI: InChI=1S/C22H16FN3O4/c1-11-19(12-2-3-13-8-24-9-14(13)6-12)17(23)7-15-20(11)26(18-4-5-30-25-18)10-16(21(15)27)22(28)29/h2-7,10,24H,8-9H2,1H3,(H,28,29)
• InChIKey: VALSANANSNTOBL-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 97.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.39
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-8-methyl-1-(1,2-oxazol-3-yl)-4-oxoquinoline-3-carboxylic acid (CID 21220375) is 7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-8-methyl-1-(1,2-oxazol-3-yl)-4-oxoquinoline-3-carboxylic acid.

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

The canonical SMILES for 7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-8-methyl-1-(1,2-oxazol-3-yl)-4-oxoquinoline-3-carboxylic acid is Cc1c(-c2ccc3c(c2)CNC3)c(F)cc2c(=O)c(C(=O)O)cn(-c3ccon3)c12.

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

The InChIKey is VALSANANSNTOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O4/c1-11-19(12-2-3-13-8-24-9-14(13)6-12)17(23)7-15-20(11)26(18-4-5-30-25-18)10-16(21(15)27)22(28)29/h2-7,10,24H,8-9H2,1H3,(H,28,29).

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

7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-8-methyl-1-(1,2-oxazol-3-yl)-4-oxoquinoline-3-carboxylic acid has a molecular weight of 405.39 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-8-methyl-1-(1,2-oxazol-3-yl)-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 21220375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).