N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2-oxo-1-(pyridin-3-ylmethyl)-1,8-naphthyridin-4-yl]acetamide;2,2,2-trifluoroacetic acid

C32H22Cl3F3N4O5 — CID 11468179

About N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2-oxo-1-(pyridin-3-ylmethyl)-1,8-naphthyridin-4-yl]acetamide;2,2,2-trifluoroacetic acid

N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2-oxo-1-(pyridin-3-ylmethyl)-1,8-naphthyridin-4-yl]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 11468179) has the molecular formula C32H22Cl3F3N4O5 and a molecular weight of 705.90 g/mol. Its IUPAC name is N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2-oxo-1-(pyridin-3-ylmethyl)-1,8-naphthyridin-4-yl]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2-oxo-1-(pyridin-3-ylmethyl)-1,8-naphthyridin-4-yl]acetamide;2,2,2-trifluoroacetic acid
• PubChem CID: 11468179
• Molecular Formula: C32H22Cl3F3N4O5
• Molecular Weight: 705.90 g/mol
• Exact Mass: 704.06
• IUPAC Name: N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2-oxo-1-(pyridin-3-ylmethyl)-1,8-naphthyridin-4-yl]acetamide;2,2,2-trifluoroacetic acid
• SMILES: CC(=O)Nc1c(C(C)=O)c(=O)n(Cc2cccnc2)c2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc12.O=C(O)C(F)(F)F
• InChI: InChI=1S/C30H21Cl3N4O3.C2HF3O2/c1-16(38)26-28(35-17(2)39)24-13-23(19-5-7-20(31)8-6-19)27(22-10-9-21(32)12-25(22)33)36-29(24)37(30(26)40)15-18-4-3-11-34-14-18;3-2(4,5)1(6)7/h3-14H,15H2,1-2H3,(H,35,39);(H,6,7)
• InChIKey: XAJGHNNCBATXMR-UHFFFAOYSA-N
• XLogP: 7.93
• TPSA: 131.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	705.90
LogP ≤ 5	7.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2-oxo-1-(pyridin-3-ylmethyl)-1,8-naphthyridin-4-yl]acetamide;2,2,2-trifluoroacetic acid?

The IUPAC name of N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2-oxo-1-(pyridin-3-ylmethyl)-1,8-naphthyridin-4-yl]acetamide;2,2,2-trifluoroacetic acid (CID 11468179) is N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2-oxo-1-(pyridin-3-ylmethyl)-1,8-naphthyridin-4-yl]acetamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2-oxo-1-(pyridin-3-ylmethyl)-1,8-naphthyridin-4-yl]acetamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2-oxo-1-(pyridin-3-ylmethyl)-1,8-naphthyridin-4-yl]acetamide;2,2,2-trifluoroacetic acid is CC(=O)Nc1c(C(C)=O)c(=O)n(Cc2cccnc2)c2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc12.O=C(O)C(F)(F)F.

What is the InChIKey of N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2-oxo-1-(pyridin-3-ylmethyl)-1,8-naphthyridin-4-yl]acetamide;2,2,2-trifluoroacetic acid?

The InChIKey is XAJGHNNCBATXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21Cl3N4O3.C2HF3O2/c1-16(38)26-28(35-17(2)39)24-13-23(19-5-7-20(31)8-6-19)27(22-10-9-21(32)12-25(22)33)36-29(24)37(30(26)40)15-18-4-3-11-34-14-18;3-2(4,5)1(6)7/h3-14H,15H2,1-2H3,(H,35,39);(H,6,7).

What are the key properties of N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2-oxo-1-(pyridin-3-ylmethyl)-1,8-naphthyridin-4-yl]acetamide;2,2,2-trifluoroacetic acid?

N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2-oxo-1-(pyridin-3-ylmethyl)-1,8-naphthyridin-4-yl]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 705.90 g/mol, XLogP of 7.93, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2-oxo-1-(pyridin-3-ylmethyl)-1,8-naphthyridin-4-yl]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 11468179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).