5-acetyl-8-chloro-1-(2,6-dichlorophenyl)-2-methyl-1,6-naphthyridin-4-one

C17H11Cl3N2O2 — CID 134453239

IUPAC5-acetyl-8-chloro-1-(2,6-dichlorophenyl)-2-methyl-1,6-naphthyridin-4-one
SMILESCC(=O)c1ncc(Cl)c2c1c(=O)cc(C)n2-c1c(Cl)cccc1Cl
InChIInChI=1S/C17H11Cl3N2O2/c1-8-6-13(24)14-15(9(2)23)21-7-12(20)17(14)22(8)16-10(18)4-3-5-11(16)19/h3-7H,1-2H3
InChIKeyJLLDUOVTGPJCJJ-UHFFFAOYSA-N
MW381.65 g/mol
LogP4.86
Rot. Bonds2

About 5-acetyl-8-chloro-1-(2,6-dichlorophenyl)-2-methyl-1,6-naphthyridin-4-one

5-acetyl-8-chloro-1-(2,6-dichlorophenyl)-2-methyl-1,6-naphthyridin-4-one (PubChem CID 134453239) has the molecular formula C17H11Cl3N2O2 and a molecular weight of 381.65 g/mol. Its IUPAC name is 5-acetyl-8-chloro-1-(2,6-dichlorophenyl)-2-methyl-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name5-acetyl-8-chloro-1-(2,6-dichlorophenyl)-2-methyl-1,6-naphthyridin-4-one
PubChem CID134453239
Molecular FormulaC17H11Cl3N2O2
Molecular Weight381.65 g/mol
Exact Mass379.99
IUPAC Name5-acetyl-8-chloro-1-(2,6-dichlorophenyl)-2-methyl-1,6-naphthyridin-4-one
SMILESCC(=O)c1ncc(Cl)c2c1c(=O)cc(C)n2-c1c(Cl)cccc1Cl
InChIInChI=1S/C17H11Cl3N2O2/c1-8-6-13(24)14-15(9(2)23)21-7-12(20)17(14)22(8)16-10(18)4-3-5-11(16)19/h3-7H,1-2H3
InChIKeyJLLDUOVTGPJCJJ-UHFFFAOYSA-N
XLogP4.86
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.65
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-8-chloro-1-(2,6-dichlorophenyl)-2-methyl-1,6-naphthyridin-4-one?
The IUPAC name of 5-acetyl-8-chloro-1-(2,6-dichlorophenyl)-2-methyl-1,6-naphthyridin-4-one (CID 134453239) is 5-acetyl-8-chloro-1-(2,6-dichlorophenyl)-2-methyl-1,6-naphthyridin-4-one.
What is the SMILES notation for 5-acetyl-8-chloro-1-(2,6-dichlorophenyl)-2-methyl-1,6-naphthyridin-4-one?
The canonical SMILES for 5-acetyl-8-chloro-1-(2,6-dichlorophenyl)-2-methyl-1,6-naphthyridin-4-one is CC(=O)c1ncc(Cl)c2c1c(=O)cc(C)n2-c1c(Cl)cccc1Cl.
What is the InChIKey of 5-acetyl-8-chloro-1-(2,6-dichlorophenyl)-2-methyl-1,6-naphthyridin-4-one?
The InChIKey is JLLDUOVTGPJCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl3N2O2/c1-8-6-13(24)14-15(9(2)23)21-7-12(20)17(14)22(8)16-10(18)4-3-5-11(16)19/h3-7H,1-2H3.
What are the key properties of 5-acetyl-8-chloro-1-(2,6-dichlorophenyl)-2-methyl-1,6-naphthyridin-4-one?
5-acetyl-8-chloro-1-(2,6-dichlorophenyl)-2-methyl-1,6-naphthyridin-4-one has a molecular weight of 381.65 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-8-chloro-1-(2,6-dichlorophenyl)-2-methyl-1,6-naphthyridin-4-one is sourced from PubChem (CID 134453239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).