7-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]-2-oxo-1,5-naphthyridine-3-carboxylic acid

C27H24FN3O6 — CID 151132700

About 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]-2-oxo-1,5-naphthyridine-3-carboxylic acid

7-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]-2-oxo-1,5-naphthyridine-3-carboxylic acid (PubChem CID 151132700) has the molecular formula C27H24FN3O6 and a molecular weight of 505.50 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]-2-oxo-1,5-naphthyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]-2-oxo-1,5-naphthyridine-3-carboxylic acid
• PubChem CID: 151132700
• Molecular Formula: C27H24FN3O6
• Molecular Weight: 505.50 g/mol
• Exact Mass: 505.16
• IUPAC Name: 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]-2-oxo-1,5-naphthyridine-3-carboxylic acid
• SMILES: CN(CCn1c(=O)c(C(=O)O)c(O)c2ncc(Cc3ccc(F)cc3)cc21)C(=O)OCc1ccccc1
• InChI: InChI=1S/C27H24FN3O6/c1-30(27(36)37-16-18-5-3-2-4-6-18)11-12-31-21-14-19(13-17-7-9-20(28)10-8-17)15-29-23(21)24(32)22(25(31)33)26(34)35/h2-10,14-15,32H,11-13,16H2,1H3,(H,34,35)
• InChIKey: MUODGNOIKXJHCG-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 121.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.50
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]-2-oxo-1,5-naphthyridine-3-carboxylic acid?

The IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]-2-oxo-1,5-naphthyridine-3-carboxylic acid (CID 151132700) is 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]-2-oxo-1,5-naphthyridine-3-carboxylic acid.

What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]-2-oxo-1,5-naphthyridine-3-carboxylic acid?

The canonical SMILES for 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]-2-oxo-1,5-naphthyridine-3-carboxylic acid is CN(CCn1c(=O)c(C(=O)O)c(O)c2ncc(Cc3ccc(F)cc3)cc21)C(=O)OCc1ccccc1.

What is the InChIKey of 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]-2-oxo-1,5-naphthyridine-3-carboxylic acid?

The InChIKey is MUODGNOIKXJHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN3O6/c1-30(27(36)37-16-18-5-3-2-4-6-18)11-12-31-21-14-19(13-17-7-9-20(28)10-8-17)15-29-23(21)24(32)22(25(31)33)26(34)35/h2-10,14-15,32H,11-13,16H2,1H3,(H,34,35).

What are the key properties of 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]-2-oxo-1,5-naphthyridine-3-carboxylic acid?

7-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]-2-oxo-1,5-naphthyridine-3-carboxylic acid has a molecular weight of 505.50 g/mol, XLogP of 3.80, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]-2-oxo-1,5-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 151132700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).