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

C28H24Cl3N3O3 — CID 11410344

IUPACN-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-(2-methylpropyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide
SMILESCC(=O)Nc1c(C(C)=O)c(=O)n(CC(C)C)c2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C28H24Cl3N3O3/c1-14(2)13-34-27-22(26(32-16(4)36)24(15(3)35)28(34)37)12-21(17-5-7-18(29)8-6-17)25(33-27)20-10-9-19(30)11-23(20)31/h5-12,14H,13H2,1-4H3,(H,32,36)
InChIKeyJBQWPLWSNHELFT-UHFFFAOYSA-N
MW556.88 g/mol
LogP7.51
Rot. Bonds6

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

N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-(2-methylpropyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide (PubChem CID 11410344) has the molecular formula C28H24Cl3N3O3 and a molecular weight of 556.88 g/mol. Its IUPAC name is N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-(2-methylpropyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide.

Molecular Properties

Compound NameN-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-(2-methylpropyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide
PubChem CID11410344
Molecular FormulaC28H24Cl3N3O3
Molecular Weight556.88 g/mol
Exact Mass555.09
IUPAC NameN-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-(2-methylpropyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide
SMILESCC(=O)Nc1c(C(C)=O)c(=O)n(CC(C)C)c2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C28H24Cl3N3O3/c1-14(2)13-34-27-22(26(32-16(4)36)24(15(3)35)28(34)37)12-21(17-5-7-18(29)8-6-17)25(33-27)20-10-9-19(30)11-23(20)31/h5-12,14H,13H2,1-4H3,(H,32,36)
InChIKeyJBQWPLWSNHELFT-UHFFFAOYSA-N
XLogP7.51
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.88
LogP ≤ 57.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-Chlorophenyl)-7-(2,4-dichlorophenyl)-N-(hydroxymethyl)-1,2,2-trimethyl-1,2,3,4-tetrahydro-1,8-naphthyridine-4-carboxamide (enantiomeric mix)
CID 46891330
Naphthyridinone
CID 11386747
6-(4-Chlorophenyl)-7-(2,4-dichlorophenyl)-N-((R)-1-hydroxyethyl)-1,2,2-trimethyl-1,2,3,4-tetrahydro-1,8-naphthyridine-4-carboxamide (enantiomeric mix)
CID 46891372
N-(5-(4-chlorophenyl)-3-cyano-6-(2,4-dichlorophenyl)pyridin-2-yl)pivalamide
CID 10195276
N-(6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1,3-dimethyl-2-oxo-1,2-dihydro-1,8-naphthyridin-4-yl)acetamide
CID 11167681
N-(3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-(2-methoxyethyl)-2-oxo-1,2-dihydro-1,8-naphthyridin-4-yl)acetamide
CID 11192215
3-acetyl-4-amino-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-1,8-naphthyridin-2(1H)-one
CID 11260007
N-(3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2-oxo-1,2-dihydro-1,8-naphthyridin-4-yl)acetamide
CID 11283445
N-(3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,2-dihydro-1,8-naphthyridin-4-yl)-2-methoxyacetamide
CID 11318758
N-(3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,2-dihydro-1,8-naphthyridin-4-yl)-2-hydroxyacetamide
CID 11341568
N-(6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-3-isopropyl-1-methyl-2-oxo-1,2-dihydro-1,8-naphthyridin-4-yl)acetamide
CID 11386749
N-(6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-3-methoxy-1-methyl-2-oxo-1,2-dihydro-1,8-naphthyridin-4-yl)acetamide
CID 11443469

Frequently Asked Questions

What is the IUPAC name of N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-(2-methylpropyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide?
The IUPAC name of N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-(2-methylpropyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide (CID 11410344) is N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-(2-methylpropyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide.
What is the SMILES notation for N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-(2-methylpropyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide?
The canonical SMILES for N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-(2-methylpropyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide is CC(=O)Nc1c(C(C)=O)c(=O)n(CC(C)C)c2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc12.
What is the InChIKey of N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-(2-methylpropyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide?
The InChIKey is JBQWPLWSNHELFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24Cl3N3O3/c1-14(2)13-34-27-22(26(32-16(4)36)24(15(3)35)28(34)37)12-21(17-5-7-18(29)8-6-17)25(33-27)20-10-9-19(30)11-23(20)31/h5-12,14H,13H2,1-4H3,(H,32,36).
What are the key properties of N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-(2-methylpropyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide?
N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-(2-methylpropyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide has a molecular weight of 556.88 g/mol, XLogP of 7.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-(2-methylpropyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide is sourced from PubChem (CID 11410344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).