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

C23H16Cl3N3O2 — CID 11454267

IUPACN-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]acetamide
SMILESCC(=O)Nc1cc(=O)n(C)c2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C23H16Cl3N3O2/c1-12(30)27-20-11-21(31)29(2)23-18(20)10-17(13-3-5-14(24)6-4-13)22(28-23)16-8-7-15(25)9-19(16)26/h3-11H,1-2H3,(H,27,30)
InChIKeyAAIQXNZXWNXHSX-UHFFFAOYSA-N
MW472.76 g/mol
LogP6.19
Rot. Bonds3

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

N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]acetamide (PubChem CID 11454267) has the molecular formula C23H16Cl3N3O2 and a molecular weight of 472.76 g/mol. Its IUPAC name is N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]acetamide
PubChem CID11454267
Molecular FormulaC23H16Cl3N3O2
Molecular Weight472.76 g/mol
Exact Mass471.03
IUPAC NameN-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]acetamide
SMILESCC(=O)Nc1cc(=O)n(C)c2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C23H16Cl3N3O2/c1-12(30)27-20-11-21(31)29(2)23-18(20)10-17(13-3-5-14(24)6-4-13)22(28-23)16-8-7-15(25)9-19(16)26/h3-11H,1-2H3,(H,27,30)
InChIKeyAAIQXNZXWNXHSX-UHFFFAOYSA-N
XLogP6.19
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.76
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
5-(2-Chlorophenyl)-1-(2,6-dichlorophenyl)-7-(piperidin-4-ylamino)-1,6-naphthyridin-2(1h)-one
CID 22648065
5-(2-Chlorophenyl)-1-(2,6-dichlorophenyl)-7-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,6-naphthyridin-2-one
CID 23532740
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

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]acetamide?
The IUPAC name of N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]acetamide (CID 11454267) is N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]acetamide.
What is the SMILES notation for N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]acetamide?
The canonical SMILES for N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]acetamide is CC(=O)Nc1cc(=O)n(C)c2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc12.
What is the InChIKey of N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]acetamide?
The InChIKey is AAIQXNZXWNXHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl3N3O2/c1-12(30)27-20-11-21(31)29(2)23-18(20)10-17(13-3-5-14(24)6-4-13)22(28-23)16-8-7-15(25)9-19(16)26/h3-11H,1-2H3,(H,27,30).
What are the key properties of N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]acetamide?
N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]acetamide has a molecular weight of 472.76 g/mol, XLogP of 6.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]acetamide is sourced from PubChem (CID 11454267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).