7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)quinoline-3-carboxylic acid;hydrochloride

C17H16ClFN4O3S — CID 45265579

About 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)quinoline-3-carboxylic acid;hydrochloride

7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)quinoline-3-carboxylic acid;hydrochloride (PubChem CID 45265579) has the molecular formula C17H16ClFN4O3S and a molecular weight of 410.86 g/mol. Its IUPAC name is 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)quinoline-3-carboxylic acid;hydrochloride.

Molecular Properties

• Compound Name: 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)quinoline-3-carboxylic acid;hydrochloride
• PubChem CID: 45265579
• Molecular Formula: C17H16ClFN4O3S
• Molecular Weight: 410.86 g/mol
• Exact Mass: 410.06
• IUPAC Name: 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)quinoline-3-carboxylic acid;hydrochloride
• SMILES: Cl.NC1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2nccs2)C1
• InChI: InChI=1S/C17H15FN4O3S.ClH/c18-12-5-10-13(6-14(12)21-3-1-9(19)7-21)22(17-20-2-4-26-17)8-11(15(10)23)16(24)25;/h2,4-6,8-9H,1,3,7,19H2,(H,24,25);1H
• InChIKey: IJWBEAAZOMTICA-UHFFFAOYSA-N
• XLogP: 2.24
• TPSA: 101.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.86
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)quinoline-3-carboxylic acid;hydrochloride?

The IUPAC name of 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)quinoline-3-carboxylic acid;hydrochloride (CID 45265579) is 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)quinoline-3-carboxylic acid;hydrochloride.

What is the SMILES notation for 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)quinoline-3-carboxylic acid;hydrochloride?

The canonical SMILES for 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)quinoline-3-carboxylic acid;hydrochloride is Cl.NC1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2nccs2)C1.

What is the InChIKey of 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)quinoline-3-carboxylic acid;hydrochloride?

The InChIKey is IJWBEAAZOMTICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3S.ClH/c18-12-5-10-13(6-14(12)21-3-1-9(19)7-21)22(17-20-2-4-26-17)8-11(15(10)23)16(24)25;/h2,4-6,8-9H,1,3,7,19H2,(H,24,25);1H.

What are the key properties of 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)quinoline-3-carboxylic acid;hydrochloride?

7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)quinoline-3-carboxylic acid;hydrochloride has a molecular weight of 410.86 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)quinoline-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 45265579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).