6-fluoro-1-(2-fluorocyclopropyl)-8-methoxy-7-[7-methyl-7-(methylamino)-5-azaspiro[2.4]heptan-5-yl]-4-oxoquinoline-3-carboxylic acid

C22H25F2N3O4 — CID 143332510

About 6-fluoro-1-(2-fluorocyclopropyl)-8-methoxy-7-[7-methyl-7-(methylamino)-5-azaspiro[2.4]heptan-5-yl]-4-oxoquinoline-3-carboxylic acid

6-fluoro-1-(2-fluorocyclopropyl)-8-methoxy-7-[7-methyl-7-(methylamino)-5-azaspiro[2.4]heptan-5-yl]-4-oxoquinoline-3-carboxylic acid (PubChem CID 143332510) has the molecular formula C22H25F2N3O4 and a molecular weight of 433.46 g/mol. Its IUPAC name is 6-fluoro-1-(2-fluorocyclopropyl)-8-methoxy-7-[7-methyl-7-(methylamino)-5-azaspiro[2.4]heptan-5-yl]-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

• Compound Name: 6-fluoro-1-(2-fluorocyclopropyl)-8-methoxy-7-[7-methyl-7-(methylamino)-5-azaspiro[2.4]heptan-5-yl]-4-oxoquinoline-3-carboxylic acid
• PubChem CID: 143332510
• Molecular Formula: C22H25F2N3O4
• Molecular Weight: 433.46 g/mol
• Exact Mass: 433.18
• IUPAC Name: 6-fluoro-1-(2-fluorocyclopropyl)-8-methoxy-7-[7-methyl-7-(methylamino)-5-azaspiro[2.4]heptan-5-yl]-4-oxoquinoline-3-carboxylic acid
• SMILES: CNC1(C)CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4F)c3c2OC)CC12CC2
• InChI: InChI=1S/C22H25F2N3O4/c1-21(25-2)9-26(10-22(21)4-5-22)17-14(24)6-11-16(19(17)31-3)27(15-7-13(15)23)8-12(18(11)28)20(29)30/h6,8,13,15,25H,4-5,7,9-10H2,1-3H3,(H,29,30)
• InChIKey: QQGVNLXVZKNNOU-UHFFFAOYSA-N
• XLogP: 2.71
• TPSA: 83.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.46
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(2-fluorocyclopropyl)-8-methoxy-7-[7-methyl-7-(methylamino)-5-azaspiro[2.4]heptan-5-yl]-4-oxoquinoline-3-carboxylic acid?

The IUPAC name of 6-fluoro-1-(2-fluorocyclopropyl)-8-methoxy-7-[7-methyl-7-(methylamino)-5-azaspiro[2.4]heptan-5-yl]-4-oxoquinoline-3-carboxylic acid (CID 143332510) is 6-fluoro-1-(2-fluorocyclopropyl)-8-methoxy-7-[7-methyl-7-(methylamino)-5-azaspiro[2.4]heptan-5-yl]-4-oxoquinoline-3-carboxylic acid.

What is the SMILES notation for 6-fluoro-1-(2-fluorocyclopropyl)-8-methoxy-7-[7-methyl-7-(methylamino)-5-azaspiro[2.4]heptan-5-yl]-4-oxoquinoline-3-carboxylic acid?

The canonical SMILES for 6-fluoro-1-(2-fluorocyclopropyl)-8-methoxy-7-[7-methyl-7-(methylamino)-5-azaspiro[2.4]heptan-5-yl]-4-oxoquinoline-3-carboxylic acid is CNC1(C)CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4F)c3c2OC)CC12CC2.

What is the InChIKey of 6-fluoro-1-(2-fluorocyclopropyl)-8-methoxy-7-[7-methyl-7-(methylamino)-5-azaspiro[2.4]heptan-5-yl]-4-oxoquinoline-3-carboxylic acid?

The InChIKey is QQGVNLXVZKNNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N3O4/c1-21(25-2)9-26(10-22(21)4-5-22)17-14(24)6-11-16(19(17)31-3)27(15-7-13(15)23)8-12(18(11)28)20(29)30/h6,8,13,15,25H,4-5,7,9-10H2,1-3H3,(H,29,30).

What are the key properties of 6-fluoro-1-(2-fluorocyclopropyl)-8-methoxy-7-[7-methyl-7-(methylamino)-5-azaspiro[2.4]heptan-5-yl]-4-oxoquinoline-3-carboxylic acid?

6-fluoro-1-(2-fluorocyclopropyl)-8-methoxy-7-[7-methyl-7-(methylamino)-5-azaspiro[2.4]heptan-5-yl]-4-oxoquinoline-3-carboxylic acid has a molecular weight of 433.46 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-1-(2-fluorocyclopropyl)-8-methoxy-7-[7-methyl-7-(methylamino)-5-azaspiro[2.4]heptan-5-yl]-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 143332510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).