6-fluoro-7-[2-[methoxy(methyl)amino]ethyl-methylamino]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid

C17H18FN5O4S — CID 146345808

About 6-fluoro-7-[2-[methoxy(methyl)amino]ethyl-methylamino]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid

6-fluoro-7-[2-[methoxy(methyl)amino]ethyl-methylamino]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 146345808) has the molecular formula C17H18FN5O4S and a molecular weight of 407.43 g/mol. Its IUPAC name is 6-fluoro-7-[2-[methoxy(methyl)amino]ethyl-methylamino]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 6-fluoro-7-[2-[methoxy(methyl)amino]ethyl-methylamino]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 146345808
• Molecular Formula: C17H18FN5O4S
• Molecular Weight: 407.43 g/mol
• Exact Mass: 407.11
• IUPAC Name: 6-fluoro-7-[2-[methoxy(methyl)amino]ethyl-methylamino]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
• SMILES: CON(C)CCN(C)c1nc2c(cc1F)c(=O)c(C(=O)O)cn2-c1nccs1
• InChI: InChI=1S/C17H18FN5O4S/c1-21(5-6-22(2)27-3)15-12(18)8-10-13(24)11(16(25)26)9-23(14(10)20-15)17-19-4-7-28-17/h4,7-9H,5-6H2,1-3H3,(H,25,26)
• InChIKey: KDFAHIOUUSMIQY-UHFFFAOYSA-N
• XLogP: 1.61
• TPSA: 100.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.43
LogP ≤ 5	1.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-[2-[methoxy(methyl)amino]ethyl-methylamino]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?

The IUPAC name of 6-fluoro-7-[2-[methoxy(methyl)amino]ethyl-methylamino]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (CID 146345808) is 6-fluoro-7-[2-[methoxy(methyl)amino]ethyl-methylamino]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid.

What is the SMILES notation for 6-fluoro-7-[2-[methoxy(methyl)amino]ethyl-methylamino]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?

The canonical SMILES for 6-fluoro-7-[2-[methoxy(methyl)amino]ethyl-methylamino]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is CON(C)CCN(C)c1nc2c(cc1F)c(=O)c(C(=O)O)cn2-c1nccs1.

What is the InChIKey of 6-fluoro-7-[2-[methoxy(methyl)amino]ethyl-methylamino]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?

The InChIKey is KDFAHIOUUSMIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O4S/c1-21(5-6-22(2)27-3)15-12(18)8-10-13(24)11(16(25)26)9-23(14(10)20-15)17-19-4-7-28-17/h4,7-9H,5-6H2,1-3H3,(H,25,26).

What are the key properties of 6-fluoro-7-[2-[methoxy(methyl)amino]ethyl-methylamino]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?

6-fluoro-7-[2-[methoxy(methyl)amino]ethyl-methylamino]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 407.43 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-7-[2-[methoxy(methyl)amino]ethyl-methylamino]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 146345808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).