3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-4-(dimethylamino)-1-methyl-1,8-naphthyridin-2-one

C25H20Cl3N3O2 — CID 11477574

About 3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-4-(dimethylamino)-1-methyl-1,8-naphthyridin-2-one

3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-4-(dimethylamino)-1-methyl-1,8-naphthyridin-2-one (PubChem CID 11477574) has the molecular formula C25H20Cl3N3O2 and a molecular weight of 500.81 g/mol. Its IUPAC name is 3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-4-(dimethylamino)-1-methyl-1,8-naphthyridin-2-one.

Molecular Properties

• Compound Name: 3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-4-(dimethylamino)-1-methyl-1,8-naphthyridin-2-one
• PubChem CID: 11477574
• Molecular Formula: C25H20Cl3N3O2
• Molecular Weight: 500.81 g/mol
• Exact Mass: 499.06
• IUPAC Name: 3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-4-(dimethylamino)-1-methyl-1,8-naphthyridin-2-one
• SMILES: CC(=O)c1c(N(C)C)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2n(C)c1=O
• InChI: InChI=1S/C25H20Cl3N3O2/c1-13(32)21-23(30(2)3)19-12-18(14-5-7-15(26)8-6-14)22(29-24(19)31(4)25(21)33)17-10-9-16(27)11-20(17)28/h5-12H,1-4H3
• InChIKey: UWQVZDDDOKWIOS-UHFFFAOYSA-N
• XLogP: 6.50
• TPSA: 55.20 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.81
LogP ≤ 5	6.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-4-(dimethylamino)-1-methyl-1,8-naphthyridin-2-one?

The IUPAC name of 3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-4-(dimethylamino)-1-methyl-1,8-naphthyridin-2-one (CID 11477574) is 3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-4-(dimethylamino)-1-methyl-1,8-naphthyridin-2-one.

What is the SMILES notation for 3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-4-(dimethylamino)-1-methyl-1,8-naphthyridin-2-one?

The canonical SMILES for 3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-4-(dimethylamino)-1-methyl-1,8-naphthyridin-2-one is CC(=O)c1c(N(C)C)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2n(C)c1=O.

What is the InChIKey of 3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-4-(dimethylamino)-1-methyl-1,8-naphthyridin-2-one?

The InChIKey is UWQVZDDDOKWIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl3N3O2/c1-13(32)21-23(30(2)3)19-12-18(14-5-7-15(26)8-6-14)22(29-24(19)31(4)25(21)33)17-10-9-16(27)11-20(17)28/h5-12H,1-4H3.

What are the key properties of 3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-4-(dimethylamino)-1-methyl-1,8-naphthyridin-2-one?

3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-4-(dimethylamino)-1-methyl-1,8-naphthyridin-2-one has a molecular weight of 500.81 g/mol, XLogP of 6.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-4-(dimethylamino)-1-methyl-1,8-naphthyridin-2-one is sourced from PubChem (CID 11477574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).