[7-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridin-3-yl] hydrogen carbonate

C18H21FN4O4 — CID 67906903

About [7-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridin-3-yl] hydrogen carbonate

[7-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridin-3-yl] hydrogen carbonate (PubChem CID 67906903) has the molecular formula C18H21FN4O4 and a molecular weight of 376.39 g/mol. Its IUPAC name is [7-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridin-3-yl] hydrogen carbonate.

Molecular Properties

• Compound Name: [7-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridin-3-yl] hydrogen carbonate
• PubChem CID: 67906903
• Molecular Formula: C18H21FN4O4
• Molecular Weight: 376.39 g/mol
• Exact Mass: 376.15
• IUPAC Name: [7-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridin-3-yl] hydrogen carbonate
• SMILES: CC(N)C1CCN(c2nc3c(cc2F)c(=O)c(OC(=O)O)cn3C2CC2)C1
• InChI: InChI=1S/C18H21FN4O4/c1-9(20)10-4-5-22(7-10)17-13(19)6-12-15(24)14(27-18(25)26)8-23(11-2-3-11)16(12)21-17/h6,8-11H,2-5,7,20H2,1H3,(H,25,26)
• InChIKey: GISSEMDWIOUUCI-UHFFFAOYSA-N
• XLogP: 2.10
• TPSA: 110.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.39
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [7-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridin-3-yl] hydrogen carbonate?

The IUPAC name of [7-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridin-3-yl] hydrogen carbonate (CID 67906903) is [7-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridin-3-yl] hydrogen carbonate.

What is the SMILES notation for [7-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridin-3-yl] hydrogen carbonate?

The canonical SMILES for [7-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridin-3-yl] hydrogen carbonate is CC(N)C1CCN(c2nc3c(cc2F)c(=O)c(OC(=O)O)cn3C2CC2)C1.

What is the InChIKey of [7-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridin-3-yl] hydrogen carbonate?

The InChIKey is GISSEMDWIOUUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O4/c1-9(20)10-4-5-22(7-10)17-13(19)6-12-15(24)14(27-18(25)26)8-23(11-2-3-11)16(12)21-17/h6,8-11H,2-5,7,20H2,1H3,(H,25,26).

What are the key properties of [7-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridin-3-yl] hydrogen carbonate?

[7-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridin-3-yl] hydrogen carbonate has a molecular weight of 376.39 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [7-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridin-3-yl] hydrogen carbonate is sourced from PubChem (CID 67906903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).