7-[3-[[[1-(ethoxymethyl)cyclopropyl]amino]methyl]azetidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid

C19H23FN4O4 — CID 146345517

About 7-[3-[[[1-(ethoxymethyl)cyclopropyl]amino]methyl]azetidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid

7-[3-[[[1-(ethoxymethyl)cyclopropyl]amino]methyl]azetidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid (PubChem CID 146345517) has the molecular formula C19H23FN4O4 and a molecular weight of 390.42 g/mol. Its IUPAC name is 7-[3-[[[1-(ethoxymethyl)cyclopropyl]amino]methyl]azetidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 7-[3-[[[1-(ethoxymethyl)cyclopropyl]amino]methyl]azetidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 146345517
• Molecular Formula: C19H23FN4O4
• Molecular Weight: 390.42 g/mol
• Exact Mass: 390.17
• IUPAC Name: 7-[3-[[[1-(ethoxymethyl)cyclopropyl]amino]methyl]azetidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
• SMILES: CCOCC1(NCC2CN(c3nc4[nH]cc(C(=O)O)c(=O)c4cc3F)C2)CC1
• InChI: InChI=1S/C19H23FN4O4/c1-2-28-10-19(3-4-19)22-6-11-8-24(9-11)17-14(20)5-12-15(25)13(18(26)27)7-21-16(12)23-17/h5,7,11,22H,2-4,6,8-10H2,1H3,(H,26,27)(H,21,23,25)
• InChIKey: WCWUKRBWPKJUSY-UHFFFAOYSA-N
• XLogP: 1.36
• TPSA: 107.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.42
LogP ≤ 5	1.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-[3-[[[1-(ethoxymethyl)cyclopropyl]amino]methyl]azetidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid?

The IUPAC name of 7-[3-[[[1-(ethoxymethyl)cyclopropyl]amino]methyl]azetidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid (CID 146345517) is 7-[3-[[[1-(ethoxymethyl)cyclopropyl]amino]methyl]azetidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid.

What is the SMILES notation for 7-[3-[[[1-(ethoxymethyl)cyclopropyl]amino]methyl]azetidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid?

The canonical SMILES for 7-[3-[[[1-(ethoxymethyl)cyclopropyl]amino]methyl]azetidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid is CCOCC1(NCC2CN(c3nc4[nH]cc(C(=O)O)c(=O)c4cc3F)C2)CC1.

What is the InChIKey of 7-[3-[[[1-(ethoxymethyl)cyclopropyl]amino]methyl]azetidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid?

The InChIKey is WCWUKRBWPKJUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O4/c1-2-28-10-19(3-4-19)22-6-11-8-24(9-11)17-14(20)5-12-15(25)13(18(26)27)7-21-16(12)23-17/h5,7,11,22H,2-4,6,8-10H2,1H3,(H,26,27)(H,21,23,25).

What are the key properties of 7-[3-[[[1-(ethoxymethyl)cyclopropyl]amino]methyl]azetidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid?

7-[3-[[[1-(ethoxymethyl)cyclopropyl]amino]methyl]azetidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 390.42 g/mol, XLogP of 1.36, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-[[[1-(ethoxymethyl)cyclopropyl]amino]methyl]azetidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 146345517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).