N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide

C24H18FN3O4 — CID 26844227

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 26844227) has the molecular formula C24H18FN3O4 and a molecular weight of 431.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
• PubChem CID: 26844227
• Molecular Formula: C24H18FN3O4
• Molecular Weight: 431.42 g/mol
• Exact Mass: 431.13
• IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
• SMILES: O=C(Nc1ccc2c(c1)OCCO2)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O
• InChI: InChI=1S/C24H18FN3O4/c25-17-5-3-15(4-6-17)14-28-22-16(2-1-9-26-22)12-19(24(28)30)23(29)27-18-7-8-20-21(13-18)32-11-10-31-20/h1-9,12-13H,10-11,14H2,(H,27,29)
• InChIKey: AFEQSRPQDBFJAT-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 82.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.42
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?

The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide (CID 26844227) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide.

What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?

The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O.

What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?

The InChIKey is AFEQSRPQDBFJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3O4/c25-17-5-3-15(4-6-17)14-28-22-16(2-1-9-26-22)12-19(24(28)30)23(29)27-18-7-8-20-21(13-18)32-11-10-31-20/h1-9,12-13H,10-11,14H2,(H,27,29).

What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 431.42 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 26844227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).