7-[3-(dimethylamino)propoxy]-6-[(2-fluoro-3-methylphenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid

C24H28FN3O5 — CID 143833116

About 7-[3-(dimethylamino)propoxy]-6-[(2-fluoro-3-methylphenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid

7-[3-(dimethylamino)propoxy]-6-[(2-fluoro-3-methylphenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 143833116) has the molecular formula C24H28FN3O5 and a molecular weight of 457.50 g/mol. Its IUPAC name is 7-[3-(dimethylamino)propoxy]-6-[(2-fluoro-3-methylphenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 7-[3-(dimethylamino)propoxy]-6-[(2-fluoro-3-methylphenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 143833116
• Molecular Formula: C24H28FN3O5
• Molecular Weight: 457.50 g/mol
• Exact Mass: 457.20
• IUPAC Name: 7-[3-(dimethylamino)propoxy]-6-[(2-fluoro-3-methylphenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
• SMILES: Cc1cccc(Cc2cc3c(=O)c(C(=O)O)cn(CCO)c3nc2OCCCN(C)C)c1F
• InChI: InChI=1S/C24H28FN3O5/c1-15-6-4-7-16(20(15)25)12-17-13-18-21(30)19(24(31)32)14-28(9-10-29)22(18)26-23(17)33-11-5-8-27(2)3/h4,6-7,13-14,29H,5,8-12H2,1-3H3,(H,31,32)
• InChIKey: RDMGDPKKRJNZAU-UHFFFAOYSA-N
• XLogP: 2.46
• TPSA: 104.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.50
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[3-(dimethylamino)propoxy]-6-[(2-fluoro-3-methylphenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The IUPAC name of 7-[3-(dimethylamino)propoxy]-6-[(2-fluoro-3-methylphenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 143833116) is 7-[3-(dimethylamino)propoxy]-6-[(2-fluoro-3-methylphenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid.

What is the SMILES notation for 7-[3-(dimethylamino)propoxy]-6-[(2-fluoro-3-methylphenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The canonical SMILES for 7-[3-(dimethylamino)propoxy]-6-[(2-fluoro-3-methylphenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid is Cc1cccc(Cc2cc3c(=O)c(C(=O)O)cn(CCO)c3nc2OCCCN(C)C)c1F.

What is the InChIKey of 7-[3-(dimethylamino)propoxy]-6-[(2-fluoro-3-methylphenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The InChIKey is RDMGDPKKRJNZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O5/c1-15-6-4-7-16(20(15)25)12-17-13-18-21(30)19(24(31)32)14-28(9-10-29)22(18)26-23(17)33-11-5-8-27(2)3/h4,6-7,13-14,29H,5,8-12H2,1-3H3,(H,31,32).

What are the key properties of 7-[3-(dimethylamino)propoxy]-6-[(2-fluoro-3-methylphenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?

7-[3-(dimethylamino)propoxy]-6-[(2-fluoro-3-methylphenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 457.50 g/mol, XLogP of 2.46, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-(dimethylamino)propoxy]-6-[(2-fluoro-3-methylphenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 143833116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).