7-(8-amino-8-methyl-6-azaspiro[3.4]octan-5-yl)-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methyl-4-oxoquinoline-3-carboxylic acid

C22H25F2N3O3 — CID 15604333

About 7-(8-amino-8-methyl-6-azaspiro[3.4]octan-5-yl)-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methyl-4-oxoquinoline-3-carboxylic acid

7-(8-amino-8-methyl-6-azaspiro[3.4]octan-5-yl)-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methyl-4-oxoquinoline-3-carboxylic acid (PubChem CID 15604333) has the molecular formula C22H25F2N3O3 and a molecular weight of 417.46 g/mol. Its IUPAC name is 7-(8-amino-8-methyl-6-azaspiro[3.4]octan-5-yl)-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methyl-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

• Compound Name: 7-(8-amino-8-methyl-6-azaspiro[3.4]octan-5-yl)-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methyl-4-oxoquinoline-3-carboxylic acid
• PubChem CID: 15604333
• Molecular Formula: C22H25F2N3O3
• Molecular Weight: 417.46 g/mol
• Exact Mass: 417.19
• IUPAC Name: 7-(8-amino-8-methyl-6-azaspiro[3.4]octan-5-yl)-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methyl-4-oxoquinoline-3-carboxylic acid
• SMILES: Cc1c(C2NCC(C)(N)C23CCC3)c(F)cc2c(=O)c(C(=O)O)cn([C@@H]3C[C@@H]3F)c12
• InChI: InChI=1S/C22H25F2N3O3/c1-10-16(19-22(4-3-5-22)21(2,25)9-26-19)14(24)6-11-17(10)27(15-7-13(15)23)8-12(18(11)28)20(29)30/h6,8,13,15,19,26H,3-5,7,9,25H2,1-2H3,(H,29,30)/t13-,15+,19?,21?/m0/s1
• InChIKey: RKVRKWMLNLHWTF-CBOMSQLVSA-N
• XLogP: 2.96
• TPSA: 97.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.46
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-(8-amino-8-methyl-6-azaspiro[3.4]octan-5-yl)-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methyl-4-oxoquinoline-3-carboxylic acid?

The IUPAC name of 7-(8-amino-8-methyl-6-azaspiro[3.4]octan-5-yl)-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methyl-4-oxoquinoline-3-carboxylic acid (CID 15604333) is 7-(8-amino-8-methyl-6-azaspiro[3.4]octan-5-yl)-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methyl-4-oxoquinoline-3-carboxylic acid.

What is the SMILES notation for 7-(8-amino-8-methyl-6-azaspiro[3.4]octan-5-yl)-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methyl-4-oxoquinoline-3-carboxylic acid?

The canonical SMILES for 7-(8-amino-8-methyl-6-azaspiro[3.4]octan-5-yl)-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methyl-4-oxoquinoline-3-carboxylic acid is Cc1c(C2NCC(C)(N)C23CCC3)c(F)cc2c(=O)c(C(=O)O)cn([C@@H]3C[C@@H]3F)c12.

What is the InChIKey of 7-(8-amino-8-methyl-6-azaspiro[3.4]octan-5-yl)-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methyl-4-oxoquinoline-3-carboxylic acid?

The InChIKey is RKVRKWMLNLHWTF-CBOMSQLVSA-N. The full InChI is InChI=1S/C22H25F2N3O3/c1-10-16(19-22(4-3-5-22)21(2,25)9-26-19)14(24)6-11-17(10)27(15-7-13(15)23)8-12(18(11)28)20(29)30/h6,8,13,15,19,26H,3-5,7,9,25H2,1-2H3,(H,29,30)/t13-,15+,19?,21?/m0/s1.

What are the key properties of 7-(8-amino-8-methyl-6-azaspiro[3.4]octan-5-yl)-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methyl-4-oxoquinoline-3-carboxylic acid?

7-(8-amino-8-methyl-6-azaspiro[3.4]octan-5-yl)-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methyl-4-oxoquinoline-3-carboxylic acid has a molecular weight of 417.46 g/mol, XLogP of 2.96, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(8-amino-8-methyl-6-azaspiro[3.4]octan-5-yl)-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methyl-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 15604333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).