7-fluoro-10-methoxy-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8-tetraene-3-carboxylic acid

C15H14FNO4 — CID 102513034

About 7-fluoro-10-methoxy-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8-tetraene-3-carboxylic acid

7-fluoro-10-methoxy-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8-tetraene-3-carboxylic acid (PubChem CID 102513034) has the molecular formula C15H14FNO4 and a molecular weight of 291.28 g/mol. Its IUPAC name is 7-fluoro-10-methoxy-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8-tetraene-3-carboxylic acid.

Molecular Properties

• Compound Name: 7-fluoro-10-methoxy-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8-tetraene-3-carboxylic acid
• PubChem CID: 102513034
• Molecular Formula: C15H14FNO4
• Molecular Weight: 291.28 g/mol
• Exact Mass: 291.09
• IUPAC Name: 7-fluoro-10-methoxy-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8-tetraene-3-carboxylic acid
• SMILES: COC1CC(C)n2cc(C(=O)O)c(=O)c3cc(F)cc1c32
• InChI: InChI=1S/C15H14FNO4/c1-7-3-12(21-2)9-4-8(16)5-10-13(9)17(7)6-11(14(10)18)15(19)20/h4-7,12H,3H2,1-2H3,(H,19,20)
• InChIKey: IRGMBGQKKLWJCQ-UHFFFAOYSA-N
• XLogP: 2.49
• TPSA: 68.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	291.28
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-10-methoxy-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8-tetraene-3-carboxylic acid?

The IUPAC name of 7-fluoro-10-methoxy-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8-tetraene-3-carboxylic acid (CID 102513034) is 7-fluoro-10-methoxy-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8-tetraene-3-carboxylic acid.

What is the SMILES notation for 7-fluoro-10-methoxy-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8-tetraene-3-carboxylic acid?

The canonical SMILES for 7-fluoro-10-methoxy-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8-tetraene-3-carboxylic acid is COC1CC(C)n2cc(C(=O)O)c(=O)c3cc(F)cc1c32.

What is the InChIKey of 7-fluoro-10-methoxy-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8-tetraene-3-carboxylic acid?

The InChIKey is IRGMBGQKKLWJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4/c1-7-3-12(21-2)9-4-8(16)5-10-13(9)17(7)6-11(14(10)18)15(19)20/h4-7,12H,3H2,1-2H3,(H,19,20).

What are the key properties of 7-fluoro-10-methoxy-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8-tetraene-3-carboxylic acid?

7-fluoro-10-methoxy-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8-tetraene-3-carboxylic acid has a molecular weight of 291.28 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-fluoro-10-methoxy-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8-tetraene-3-carboxylic acid is sourced from PubChem (CID 102513034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).