7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-5-hydroxy-4-oxoquinoline-3-carboxylic acid

C17H18FN3O4 — CID 14896587

About 7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-5-hydroxy-4-oxoquinoline-3-carboxylic acid

7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-5-hydroxy-4-oxoquinoline-3-carboxylic acid (PubChem CID 14896587) has the molecular formula C17H18FN3O4 and a molecular weight of 347.35 g/mol. Its IUPAC name is 7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-5-hydroxy-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

• Compound Name: 7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-5-hydroxy-4-oxoquinoline-3-carboxylic acid
• PubChem CID: 14896587
• Molecular Formula: C17H18FN3O4
• Molecular Weight: 347.35 g/mol
• Exact Mass: 347.13
• IUPAC Name: 7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-5-hydroxy-4-oxoquinoline-3-carboxylic acid
• SMILES: NC1CCN(c2cc3c(c(O)c2F)c(=O)c(C(=O)O)cn3C2CC2)C1
• InChI: InChI=1S/C17H18FN3O4/c18-14-12(20-4-3-8(19)6-20)5-11-13(16(14)23)15(22)10(17(24)25)7-21(11)9-1-2-9/h5,7-9,23H,1-4,6,19H2,(H,24,25)
• InChIKey: YQWACPXTKVZQRM-UHFFFAOYSA-N
• XLogP: 1.42
• TPSA: 108.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.35
LogP ≤ 5	1.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-5-hydroxy-4-oxoquinoline-3-carboxylic acid?

The IUPAC name of 7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-5-hydroxy-4-oxoquinoline-3-carboxylic acid (CID 14896587) is 7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-5-hydroxy-4-oxoquinoline-3-carboxylic acid.

What is the SMILES notation for 7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-5-hydroxy-4-oxoquinoline-3-carboxylic acid?

The canonical SMILES for 7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-5-hydroxy-4-oxoquinoline-3-carboxylic acid is NC1CCN(c2cc3c(c(O)c2F)c(=O)c(C(=O)O)cn3C2CC2)C1.

What is the InChIKey of 7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-5-hydroxy-4-oxoquinoline-3-carboxylic acid?

The InChIKey is YQWACPXTKVZQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O4/c18-14-12(20-4-3-8(19)6-20)5-11-13(16(14)23)15(22)10(17(24)25)7-21(11)9-1-2-9/h5,7-9,23H,1-4,6,19H2,(H,24,25).

What are the key properties of 7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-5-hydroxy-4-oxoquinoline-3-carboxylic acid?

7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-5-hydroxy-4-oxoquinoline-3-carboxylic acid has a molecular weight of 347.35 g/mol, XLogP of 1.42, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-5-hydroxy-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 14896587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).