7-(8-amino-6-azaspiro[3.4]octan-6-yl)-6,8-difluoro-1-(2-fluoroethyl)-4-oxoquinoline-3-carboxylic acid

C19H20F3N3O3 — CID 22417198

About 7-(8-amino-6-azaspiro[3.4]octan-6-yl)-6,8-difluoro-1-(2-fluoroethyl)-4-oxoquinoline-3-carboxylic acid

7-(8-amino-6-azaspiro[3.4]octan-6-yl)-6,8-difluoro-1-(2-fluoroethyl)-4-oxoquinoline-3-carboxylic acid (PubChem CID 22417198) has the molecular formula C19H20F3N3O3 and a molecular weight of 395.38 g/mol. Its IUPAC name is 7-(8-amino-6-azaspiro[3.4]octan-6-yl)-6,8-difluoro-1-(2-fluoroethyl)-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

• Compound Name: 7-(8-amino-6-azaspiro[3.4]octan-6-yl)-6,8-difluoro-1-(2-fluoroethyl)-4-oxoquinoline-3-carboxylic acid
• PubChem CID: 22417198
• Molecular Formula: C19H20F3N3O3
• Molecular Weight: 395.38 g/mol
• Exact Mass: 395.15
• IUPAC Name: 7-(8-amino-6-azaspiro[3.4]octan-6-yl)-6,8-difluoro-1-(2-fluoroethyl)-4-oxoquinoline-3-carboxylic acid
• SMILES: NC1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(CCF)c3c2F)CC12CCC2
• InChI: InChI=1S/C19H20F3N3O3/c20-4-5-24-7-11(18(27)28)17(26)10-6-12(21)16(14(22)15(10)24)25-8-13(23)19(9-25)2-1-3-19/h6-7,13H,1-5,8-9,23H2,(H,27,28)
• InChIKey: SVOKEFDFOYIXTQ-UHFFFAOYSA-N
• XLogP: 2.27
• TPSA: 88.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.38
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-(8-amino-6-azaspiro[3.4]octan-6-yl)-6,8-difluoro-1-(2-fluoroethyl)-4-oxoquinoline-3-carboxylic acid?

The IUPAC name of 7-(8-amino-6-azaspiro[3.4]octan-6-yl)-6,8-difluoro-1-(2-fluoroethyl)-4-oxoquinoline-3-carboxylic acid (CID 22417198) is 7-(8-amino-6-azaspiro[3.4]octan-6-yl)-6,8-difluoro-1-(2-fluoroethyl)-4-oxoquinoline-3-carboxylic acid.

What is the SMILES notation for 7-(8-amino-6-azaspiro[3.4]octan-6-yl)-6,8-difluoro-1-(2-fluoroethyl)-4-oxoquinoline-3-carboxylic acid?

The canonical SMILES for 7-(8-amino-6-azaspiro[3.4]octan-6-yl)-6,8-difluoro-1-(2-fluoroethyl)-4-oxoquinoline-3-carboxylic acid is NC1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(CCF)c3c2F)CC12CCC2.

What is the InChIKey of 7-(8-amino-6-azaspiro[3.4]octan-6-yl)-6,8-difluoro-1-(2-fluoroethyl)-4-oxoquinoline-3-carboxylic acid?

The InChIKey is SVOKEFDFOYIXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O3/c20-4-5-24-7-11(18(27)28)17(26)10-6-12(21)16(14(22)15(10)24)25-8-13(23)19(9-25)2-1-3-19/h6-7,13H,1-5,8-9,23H2,(H,27,28).

What are the key properties of 7-(8-amino-6-azaspiro[3.4]octan-6-yl)-6,8-difluoro-1-(2-fluoroethyl)-4-oxoquinoline-3-carboxylic acid?

7-(8-amino-6-azaspiro[3.4]octan-6-yl)-6,8-difluoro-1-(2-fluoroethyl)-4-oxoquinoline-3-carboxylic acid has a molecular weight of 395.38 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(8-amino-6-azaspiro[3.4]octan-6-yl)-6,8-difluoro-1-(2-fluoroethyl)-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 22417198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).