3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(3-methoxyprop-1-enyl)-1,6-naphthyridine-7-carboxylic acid

C20H17FN2O4 — CID 67089096

About 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(3-methoxyprop-1-enyl)-1,6-naphthyridine-7-carboxylic acid

3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(3-methoxyprop-1-enyl)-1,6-naphthyridine-7-carboxylic acid (PubChem CID 67089096) has the molecular formula C20H17FN2O4 and a molecular weight of 368.36 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(3-methoxyprop-1-enyl)-1,6-naphthyridine-7-carboxylic acid.

Molecular Properties

• Compound Name: 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(3-methoxyprop-1-enyl)-1,6-naphthyridine-7-carboxylic acid
• PubChem CID: 67089096
• Molecular Formula: C20H17FN2O4
• Molecular Weight: 368.36 g/mol
• Exact Mass: 368.12
• IUPAC Name: 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(3-methoxyprop-1-enyl)-1,6-naphthyridine-7-carboxylic acid
• SMILES: COCC=Cc1nc(C(=O)O)c(O)c2ncc(Cc3ccc(F)cc3)cc12
• InChI: InChI=1S/C20H17FN2O4/c1-27-8-2-3-16-15-10-13(9-12-4-6-14(21)7-5-12)11-22-17(15)19(24)18(23-16)20(25)26/h2-7,10-11,24H,8-9H2,1H3,(H,25,26)
• InChIKey: TUUNZQBZQDNULM-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 92.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.36
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(3-methoxyprop-1-enyl)-1,6-naphthyridine-7-carboxylic acid?

The IUPAC name of 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(3-methoxyprop-1-enyl)-1,6-naphthyridine-7-carboxylic acid (CID 67089096) is 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(3-methoxyprop-1-enyl)-1,6-naphthyridine-7-carboxylic acid.

What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(3-methoxyprop-1-enyl)-1,6-naphthyridine-7-carboxylic acid?

The canonical SMILES for 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(3-methoxyprop-1-enyl)-1,6-naphthyridine-7-carboxylic acid is COCC=Cc1nc(C(=O)O)c(O)c2ncc(Cc3ccc(F)cc3)cc12.

What is the InChIKey of 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(3-methoxyprop-1-enyl)-1,6-naphthyridine-7-carboxylic acid?

The InChIKey is TUUNZQBZQDNULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O4/c1-27-8-2-3-16-15-10-13(9-12-4-6-14(21)7-5-12)11-22-17(15)19(24)18(23-16)20(25)26/h2-7,10-11,24H,8-9H2,1H3,(H,25,26).

What are the key properties of 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(3-methoxyprop-1-enyl)-1,6-naphthyridine-7-carboxylic acid?

3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(3-methoxyprop-1-enyl)-1,6-naphthyridine-7-carboxylic acid has a molecular weight of 368.36 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(3-methoxyprop-1-enyl)-1,6-naphthyridine-7-carboxylic acid is sourced from PubChem (CID 67089096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).