7-(3-aminopyrrolidin-1-yl)-1-tert-butyl-6-fluoro-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid

C18H23FN4O3 — CID 23276747

About 7-(3-aminopyrrolidin-1-yl)-1-tert-butyl-6-fluoro-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid

7-(3-aminopyrrolidin-1-yl)-1-tert-butyl-6-fluoro-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 23276747) has the molecular formula C18H23FN4O3 and a molecular weight of 362.41 g/mol. Its IUPAC name is 7-(3-aminopyrrolidin-1-yl)-1-tert-butyl-6-fluoro-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 7-(3-aminopyrrolidin-1-yl)-1-tert-butyl-6-fluoro-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 23276747
• Molecular Formula: C18H23FN4O3
• Molecular Weight: 362.41 g/mol
• Exact Mass: 362.18
• IUPAC Name: 7-(3-aminopyrrolidin-1-yl)-1-tert-butyl-6-fluoro-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
• SMILES: Cc1c(F)c(N2CCC(N)C2)nc2c1c(=O)c(C(=O)O)cn2C(C)(C)C
• InChI: InChI=1S/C18H23FN4O3/c1-9-12-14(24)11(17(25)26)8-23(18(2,3)4)15(12)21-16(13(9)19)22-6-5-10(20)7-22/h8,10H,5-7,20H2,1-4H3,(H,25,26)
• InChIKey: HARKKFDJIMGAFT-UHFFFAOYSA-N
• XLogP: 1.83
• TPSA: 101.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.41
LogP ≤ 5	1.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-(3-aminopyrrolidin-1-yl)-1-tert-butyl-6-fluoro-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The IUPAC name of 7-(3-aminopyrrolidin-1-yl)-1-tert-butyl-6-fluoro-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 23276747) is 7-(3-aminopyrrolidin-1-yl)-1-tert-butyl-6-fluoro-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid.

What is the SMILES notation for 7-(3-aminopyrrolidin-1-yl)-1-tert-butyl-6-fluoro-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The canonical SMILES for 7-(3-aminopyrrolidin-1-yl)-1-tert-butyl-6-fluoro-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid is Cc1c(F)c(N2CCC(N)C2)nc2c1c(=O)c(C(=O)O)cn2C(C)(C)C.

What is the InChIKey of 7-(3-aminopyrrolidin-1-yl)-1-tert-butyl-6-fluoro-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The InChIKey is HARKKFDJIMGAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O3/c1-9-12-14(24)11(17(25)26)8-23(18(2,3)4)15(12)21-16(13(9)19)22-6-5-10(20)7-22/h8,10H,5-7,20H2,1-4H3,(H,25,26).

What are the key properties of 7-(3-aminopyrrolidin-1-yl)-1-tert-butyl-6-fluoro-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid?

7-(3-aminopyrrolidin-1-yl)-1-tert-butyl-6-fluoro-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 362.41 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3-aminopyrrolidin-1-yl)-1-tert-butyl-6-fluoro-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 23276747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).