1-cyclopropyl-7-(1,4-diazabicyclo[3.2.1]octan-2-yl)-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid

C20H22FN3O3 — CID 54414251

About 1-cyclopropyl-7-(1,4-diazabicyclo[3.2.1]octan-2-yl)-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid

1-cyclopropyl-7-(1,4-diazabicyclo[3.2.1]octan-2-yl)-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid (PubChem CID 54414251) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is 1-cyclopropyl-7-(1,4-diazabicyclo[3.2.1]octan-2-yl)-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

• Compound Name: 1-cyclopropyl-7-(1,4-diazabicyclo[3.2.1]octan-2-yl)-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid
• PubChem CID: 54414251
• Molecular Formula: C20H22FN3O3
• Molecular Weight: 371.41 g/mol
• Exact Mass: 371.16
• IUPAC Name: 1-cyclopropyl-7-(1,4-diazabicyclo[3.2.1]octan-2-yl)-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid
• SMILES: Cc1c(F)c(C2CNC3CCN2C3)cc2c1c(=O)c(C(=O)O)cn2C1CC1
• InChI: InChI=1S/C20H22FN3O3/c1-10-17-15(24(12-2-3-12)9-14(19(17)25)20(26)27)6-13(18(10)21)16-7-22-11-4-5-23(16)8-11/h6,9,11-12,16,22H,2-5,7-8H2,1H3,(H,26,27)
• InChIKey: VWGPFTLEJUJCED-UHFFFAOYSA-N
• XLogP: 2.20
• TPSA: 74.57 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	2.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-7-(1,4-diazabicyclo[3.2.1]octan-2-yl)-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid?

The IUPAC name of 1-cyclopropyl-7-(1,4-diazabicyclo[3.2.1]octan-2-yl)-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid (CID 54414251) is 1-cyclopropyl-7-(1,4-diazabicyclo[3.2.1]octan-2-yl)-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid.

What is the SMILES notation for 1-cyclopropyl-7-(1,4-diazabicyclo[3.2.1]octan-2-yl)-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid?

The canonical SMILES for 1-cyclopropyl-7-(1,4-diazabicyclo[3.2.1]octan-2-yl)-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid is Cc1c(F)c(C2CNC3CCN2C3)cc2c1c(=O)c(C(=O)O)cn2C1CC1.

What is the InChIKey of 1-cyclopropyl-7-(1,4-diazabicyclo[3.2.1]octan-2-yl)-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid?

The InChIKey is VWGPFTLEJUJCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3/c1-10-17-15(24(12-2-3-12)9-14(19(17)25)20(26)27)6-13(18(10)21)16-7-22-11-4-5-23(16)8-11/h6,9,11-12,16,22H,2-5,7-8H2,1H3,(H,26,27).

What are the key properties of 1-cyclopropyl-7-(1,4-diazabicyclo[3.2.1]octan-2-yl)-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid?

1-cyclopropyl-7-(1,4-diazabicyclo[3.2.1]octan-2-yl)-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid has a molecular weight of 371.41 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-7-(1,4-diazabicyclo[3.2.1]octan-2-yl)-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 54414251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).