7-(4,7-diazaspiro[2.5]octan-7-yl)-1-ethyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid

C19H22FN3O3 — CID 22417226

About 7-(4,7-diazaspiro[2.5]octan-7-yl)-1-ethyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid

7-(4,7-diazaspiro[2.5]octan-7-yl)-1-ethyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid (PubChem CID 22417226) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is 7-(4,7-diazaspiro[2.5]octan-7-yl)-1-ethyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

• Compound Name: 7-(4,7-diazaspiro[2.5]octan-7-yl)-1-ethyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid
• PubChem CID: 22417226
• Molecular Formula: C19H22FN3O3
• Molecular Weight: 359.40 g/mol
• Exact Mass: 359.16
• IUPAC Name: 7-(4,7-diazaspiro[2.5]octan-7-yl)-1-ethyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid
• SMILES: CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC4(CC4)C3)c(C)c21
• InChI: InChI=1S/C19H22FN3O3/c1-3-22-9-13(18(25)26)17(24)12-8-14(20)16(11(2)15(12)22)23-7-6-21-19(10-23)4-5-19/h8-9,21H,3-7,10H2,1-2H3,(H,25,26)
• InChIKey: RVJBETGDGVHSOG-UHFFFAOYSA-N
• XLogP: 2.11
• TPSA: 74.57 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	359.40
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-(4,7-diazaspiro[2.5]octan-7-yl)-1-ethyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid?

The IUPAC name of 7-(4,7-diazaspiro[2.5]octan-7-yl)-1-ethyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid (CID 22417226) is 7-(4,7-diazaspiro[2.5]octan-7-yl)-1-ethyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid.

What is the SMILES notation for 7-(4,7-diazaspiro[2.5]octan-7-yl)-1-ethyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid?

The canonical SMILES for 7-(4,7-diazaspiro[2.5]octan-7-yl)-1-ethyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid is CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC4(CC4)C3)c(C)c21.

What is the InChIKey of 7-(4,7-diazaspiro[2.5]octan-7-yl)-1-ethyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid?

The InChIKey is RVJBETGDGVHSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-3-22-9-13(18(25)26)17(24)12-8-14(20)16(11(2)15(12)22)23-7-6-21-19(10-23)4-5-19/h8-9,21H,3-7,10H2,1-2H3,(H,25,26).

What are the key properties of 7-(4,7-diazaspiro[2.5]octan-7-yl)-1-ethyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid?

7-(4,7-diazaspiro[2.5]octan-7-yl)-1-ethyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid has a molecular weight of 359.40 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4,7-diazaspiro[2.5]octan-7-yl)-1-ethyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 22417226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).