7-(7-amino-5-azaspiro[2.4]heptan-5-yl)-1-ethenyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid

C19H20FN3O4 — CID 139707106

About 7-(7-amino-5-azaspiro[2.4]heptan-5-yl)-1-ethenyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid

7-(7-amino-5-azaspiro[2.4]heptan-5-yl)-1-ethenyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid (PubChem CID 139707106) has the molecular formula C19H20FN3O4 and a molecular weight of 373.38 g/mol. Its IUPAC name is 7-(7-amino-5-azaspiro[2.4]heptan-5-yl)-1-ethenyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

• Compound Name: 7-(7-amino-5-azaspiro[2.4]heptan-5-yl)-1-ethenyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
• PubChem CID: 139707106
• Molecular Formula: C19H20FN3O4
• Molecular Weight: 373.38 g/mol
• Exact Mass: 373.14
• IUPAC Name: 7-(7-amino-5-azaspiro[2.4]heptan-5-yl)-1-ethenyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
• SMILES: C=Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC(N)C4(CC4)C3)c(OC)c21
• InChI: InChI=1S/C19H20FN3O4/c1-3-22-7-11(18(25)26)16(24)10-6-12(20)15(17(27-2)14(10)22)23-8-13(21)19(9-23)4-5-19/h3,6-7,13H,1,4-5,8-9,21H2,2H3,(H,25,26)
• InChIKey: KHHXMEPGJZQGON-UHFFFAOYSA-N
• XLogP: 1.88
• TPSA: 97.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.38
LogP ≤ 5	1.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 7-(7-amino-5-azaspiro[2.4]heptan-5-yl)-1-ethenyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid (CID 139707106) is 7-(7-amino-5-azaspiro[2.4]heptan-5-yl)-1-ethenyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid.

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

The canonical SMILES for 7-(7-amino-5-azaspiro[2.4]heptan-5-yl)-1-ethenyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid is C=Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC(N)C4(CC4)C3)c(OC)c21.

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

The InChIKey is KHHXMEPGJZQGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O4/c1-3-22-7-11(18(25)26)16(24)10-6-12(20)15(17(27-2)14(10)22)23-8-13(21)19(9-23)4-5-19/h3,6-7,13H,1,4-5,8-9,21H2,2H3,(H,25,26).

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

7-(7-amino-5-azaspiro[2.4]heptan-5-yl)-1-ethenyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid has a molecular weight of 373.38 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(7-amino-5-azaspiro[2.4]heptan-5-yl)-1-ethenyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 139707106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).