7-[3-(3-aminocyclohexyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid

C23H29FN4O3 — CID 23313599

About 7-[3-(3-aminocyclohexyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid

7-[3-(3-aminocyclohexyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid (PubChem CID 23313599) has the molecular formula C23H29FN4O3 and a molecular weight of 428.51 g/mol. Its IUPAC name is 7-[3-(3-aminocyclohexyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

• Compound Name: 7-[3-(3-aminocyclohexyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
• PubChem CID: 23313599
• Molecular Formula: C23H29FN4O3
• Molecular Weight: 428.51 g/mol
• Exact Mass: 428.22
• IUPAC Name: 7-[3-(3-aminocyclohexyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
• SMILES: NC1CCCC(C2CN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CCN2)C1
• InChI: InChI=1S/C23H29FN4O3/c24-18-9-16-20(28(15-4-5-15)11-17(22(16)29)23(30)31)10-21(18)27-7-6-26-19(12-27)13-2-1-3-14(25)8-13/h9-11,13-15,19,26H,1-8,12,25H2,(H,30,31)
• InChIKey: NCWVSZURXPASMA-UHFFFAOYSA-N
• XLogP: 2.47
• TPSA: 100.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.51
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-[3-(3-aminocyclohexyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?

The IUPAC name of 7-[3-(3-aminocyclohexyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid (CID 23313599) is 7-[3-(3-aminocyclohexyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid.

What is the SMILES notation for 7-[3-(3-aminocyclohexyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?

The canonical SMILES for 7-[3-(3-aminocyclohexyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid is NC1CCCC(C2CN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CCN2)C1.

What is the InChIKey of 7-[3-(3-aminocyclohexyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?

The InChIKey is NCWVSZURXPASMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O3/c24-18-9-16-20(28(15-4-5-15)11-17(22(16)29)23(30)31)10-21(18)27-7-6-26-19(12-27)13-2-1-3-14(25)8-13/h9-11,13-15,19,26H,1-8,12,25H2,(H,30,31).

What are the key properties of 7-[3-(3-aminocyclohexyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?

7-[3-(3-aminocyclohexyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid has a molecular weight of 428.51 g/mol, XLogP of 2.47, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-(3-aminocyclohexyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 23313599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).