7-(6-amino-2-azabicyclo[2.2.2]octan-2-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid

C20H22FN3O3 — CID 19878268

About 7-(6-amino-2-azabicyclo[2.2.2]octan-2-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid

7-(6-amino-2-azabicyclo[2.2.2]octan-2-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid (PubChem CID 19878268) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is 7-(6-amino-2-azabicyclo[2.2.2]octan-2-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

• Compound Name: 7-(6-amino-2-azabicyclo[2.2.2]octan-2-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
• PubChem CID: 19878268
• Molecular Formula: C20H22FN3O3
• Molecular Weight: 371.41 g/mol
• Exact Mass: 371.16
• IUPAC Name: 7-(6-amino-2-azabicyclo[2.2.2]octan-2-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
• SMILES: NC1CC2CCC1N(c1cc3c(cc1F)c(=O)c(C(=O)O)cn3C1CC1)C2
• InChI: InChI=1S/C20H22FN3O3/c21-14-6-12-17(23(11-2-3-11)9-13(19(12)25)20(26)27)7-18(14)24-8-10-1-4-16(24)15(22)5-10/h6-7,9-11,15-16H,1-5,8,22H2,(H,26,27)
• InChIKey: IXEAQDPNVGGDIL-UHFFFAOYSA-N
• XLogP: 2.49
• TPSA: 88.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.41
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-(6-amino-2-azabicyclo[2.2.2]octan-2-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?

The IUPAC name of 7-(6-amino-2-azabicyclo[2.2.2]octan-2-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid (CID 19878268) is 7-(6-amino-2-azabicyclo[2.2.2]octan-2-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid.

What is the SMILES notation for 7-(6-amino-2-azabicyclo[2.2.2]octan-2-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?

The canonical SMILES for 7-(6-amino-2-azabicyclo[2.2.2]octan-2-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid is NC1CC2CCC1N(c1cc3c(cc1F)c(=O)c(C(=O)O)cn3C1CC1)C2.

What is the InChIKey of 7-(6-amino-2-azabicyclo[2.2.2]octan-2-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?

The InChIKey is IXEAQDPNVGGDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3/c21-14-6-12-17(23(11-2-3-11)9-13(19(12)25)20(26)27)7-18(14)24-8-10-1-4-16(24)15(22)5-10/h6-7,9-11,15-16H,1-5,8,22H2,(H,26,27).

What are the key properties of 7-(6-amino-2-azabicyclo[2.2.2]octan-2-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?

7-(6-amino-2-azabicyclo[2.2.2]octan-2-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid has a molecular weight of 371.41 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(6-amino-2-azabicyclo[2.2.2]octan-2-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 19878268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).