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

C24H16Cl3N3O3 — CID 11283445

IUPACN-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2-oxo-1H-1,8-naphthyridin-4-yl]acetamide
SMILESCC(=O)Nc1c(C(C)=O)c(=O)[nH]c2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C24H16Cl3N3O3/c1-11(31)20-22(28-12(2)32)18-10-17(13-3-5-14(25)6-4-13)21(29-23(18)30-24(20)33)16-8-7-15(26)9-19(16)27/h3-10H,1-2H3,(H2,28,29,30,32,33)
InChIKeyPUNSHQSKVLQETC-UHFFFAOYSA-N
MW500.77 g/mol
LogP6.38
Rot. Bonds4

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

N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2-oxo-1H-1,8-naphthyridin-4-yl]acetamide (PubChem CID 11283445) has the molecular formula C24H16Cl3N3O3 and a molecular weight of 500.77 g/mol. Its IUPAC name is N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2-oxo-1H-1,8-naphthyridin-4-yl]acetamide.

Molecular Properties

Compound NameN-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2-oxo-1H-1,8-naphthyridin-4-yl]acetamide
PubChem CID11283445
Molecular FormulaC24H16Cl3N3O3
Molecular Weight500.77 g/mol
Exact Mass499.03
IUPAC NameN-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2-oxo-1H-1,8-naphthyridin-4-yl]acetamide
SMILESCC(=O)Nc1c(C(C)=O)c(=O)[nH]c2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C24H16Cl3N3O3/c1-11(31)20-22(28-12(2)32)18-10-17(13-3-5-14(25)6-4-13)21(29-23(18)30-24(20)33)16-8-7-15(26)9-19(16)27/h3-10H,1-2H3,(H2,28,29,30,32,33)
InChIKeyPUNSHQSKVLQETC-UHFFFAOYSA-N
XLogP6.38
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.77
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2-oxo-1H-1,8-naphthyridin-4-yl]acetamide?
The IUPAC name of N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2-oxo-1H-1,8-naphthyridin-4-yl]acetamide (CID 11283445) is N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2-oxo-1H-1,8-naphthyridin-4-yl]acetamide.
What is the SMILES notation for N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2-oxo-1H-1,8-naphthyridin-4-yl]acetamide?
The canonical SMILES for N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2-oxo-1H-1,8-naphthyridin-4-yl]acetamide is CC(=O)Nc1c(C(C)=O)c(=O)[nH]c2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc12.
What is the InChIKey of N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2-oxo-1H-1,8-naphthyridin-4-yl]acetamide?
The InChIKey is PUNSHQSKVLQETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl3N3O3/c1-11(31)20-22(28-12(2)32)18-10-17(13-3-5-14(25)6-4-13)21(29-23(18)30-24(20)33)16-8-7-15(26)9-19(16)27/h3-10H,1-2H3,(H2,28,29,30,32,33).
What are the key properties of N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2-oxo-1H-1,8-naphthyridin-4-yl]acetamide?
N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2-oxo-1H-1,8-naphthyridin-4-yl]acetamide has a molecular weight of 500.77 g/mol, XLogP of 6.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2-oxo-1H-1,8-naphthyridin-4-yl]acetamide is sourced from PubChem (CID 11283445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).