N-[3-acetyl-1-benzyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide

C31H22Cl3N3O3 — CID 11467430

IUPACN-[3-acetyl-1-benzyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide
SMILESCC(=O)Nc1c(C(C)=O)c(=O)n(Cc2ccccc2)c2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C31H22Cl3N3O3/c1-17(38)27-29(35-18(2)39)25-15-24(20-8-10-21(32)11-9-20)28(23-13-12-22(33)14-26(23)34)36-30(25)37(31(27)40)16-19-6-4-3-5-7-19/h3-15H,16H2,1-2H3,(H,35,39)
InChIKeyPPIIUDQSAOROOZ-UHFFFAOYSA-N
MW590.89 g/mol
LogP7.90
Rot. Bonds6

About N-[3-acetyl-1-benzyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide

N-[3-acetyl-1-benzyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide (PubChem CID 11467430) has the molecular formula C31H22Cl3N3O3 and a molecular weight of 590.89 g/mol. Its IUPAC name is N-[3-acetyl-1-benzyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide.

Molecular Properties

Compound NameN-[3-acetyl-1-benzyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide
PubChem CID11467430
Molecular FormulaC31H22Cl3N3O3
Molecular Weight590.89 g/mol
Exact Mass589.07
IUPAC NameN-[3-acetyl-1-benzyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide
SMILESCC(=O)Nc1c(C(C)=O)c(=O)n(Cc2ccccc2)c2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C31H22Cl3N3O3/c1-17(38)27-29(35-18(2)39)25-15-24(20-8-10-21(32)11-9-20)28(23-13-12-22(33)14-26(23)34)36-30(25)37(31(27)40)16-19-6-4-3-5-7-19/h3-15H,16H2,1-2H3,(H,35,39)
InChIKeyPPIIUDQSAOROOZ-UHFFFAOYSA-N
XLogP7.90
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.89
LogP ≤ 57.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-acetyl-1-benzyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-acetyl-1-benzyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide?
The IUPAC name of N-[3-acetyl-1-benzyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide (CID 11467430) is N-[3-acetyl-1-benzyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide.
What is the SMILES notation for N-[3-acetyl-1-benzyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide?
The canonical SMILES for N-[3-acetyl-1-benzyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide is CC(=O)Nc1c(C(C)=O)c(=O)n(Cc2ccccc2)c2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc12.
What is the InChIKey of N-[3-acetyl-1-benzyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide?
The InChIKey is PPIIUDQSAOROOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22Cl3N3O3/c1-17(38)27-29(35-18(2)39)25-15-24(20-8-10-21(32)11-9-20)28(23-13-12-22(33)14-26(23)34)36-30(25)37(31(27)40)16-19-6-4-3-5-7-19/h3-15H,16H2,1-2H3,(H,35,39).
What are the key properties of N-[3-acetyl-1-benzyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide?
N-[3-acetyl-1-benzyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide has a molecular weight of 590.89 g/mol, XLogP of 7.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetyl-1-benzyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide is sourced from PubChem (CID 11467430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).