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

C19H20FN3O3 — CID 139707120

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

7-(7-amino-5-azaspiro[2.4]heptan-5-yl)-1-ethenyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid (PubChem CID 139707120) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is 7-(7-amino-5-azaspiro[2.4]heptan-5-yl)-1-ethenyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

• Compound Name: 7-(7-amino-5-azaspiro[2.4]heptan-5-yl)-1-ethenyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid
• PubChem CID: 139707120
• Molecular Formula: C19H20FN3O3
• Molecular Weight: 357.39 g/mol
• Exact Mass: 357.15
• IUPAC Name: 7-(7-amino-5-azaspiro[2.4]heptan-5-yl)-1-ethenyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid
• SMILES: C=Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC(N)C4(CC4)C3)c(C)c21
• InChI: InChI=1S/C19H20FN3O3/c1-3-22-7-12(18(25)26)17(24)11-6-13(20)16(10(2)15(11)22)23-8-14(21)19(9-23)4-5-19/h3,6-7,14H,1,4-5,8-9,21H2,2H3,(H,25,26)
• InChIKey: XSQHLCRWZKPSNL-UHFFFAOYSA-N
• XLogP: 2.18
• TPSA: 88.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.39
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 7-(7-amino-5-azaspiro[2.4]heptan-5-yl)-1-ethenyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid (CID 139707120) is 7-(7-amino-5-azaspiro[2.4]heptan-5-yl)-1-ethenyl-6-fluoro-8-methyl-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-methyl-4-oxoquinoline-3-carboxylic acid?

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

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

The InChIKey is XSQHLCRWZKPSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c1-3-22-7-12(18(25)26)17(24)11-6-13(20)16(10(2)15(11)22)23-8-14(21)19(9-23)4-5-19/h3,6-7,14H,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-methyl-4-oxoquinoline-3-carboxylic acid?

7-(7-amino-5-azaspiro[2.4]heptan-5-yl)-1-ethenyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid has a molecular weight of 357.39 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 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-methyl-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 139707120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).