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

C26H20Cl3N3O4 — CID 11318758

IUPACN-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1c(C(C)=O)c(=O)n(C)c2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C26H20Cl3N3O4/c1-13(33)22-24(30-21(34)12-36-3)19-11-18(14-4-6-15(27)7-5-14)23(31-25(19)32(2)26(22)35)17-9-8-16(28)10-20(17)29/h4-11H,12H2,1-3H3,(H,30,34)
InChIKeyOUGDMJNQRYKRBR-UHFFFAOYSA-N
MW544.82 g/mol
LogP6.02
Rot. Bonds6

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

N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]-2-methoxyacetamide (PubChem CID 11318758) has the molecular formula C26H20Cl3N3O4 and a molecular weight of 544.82 g/mol. Its IUPAC name is N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]-2-methoxyacetamide
PubChem CID11318758
Molecular FormulaC26H20Cl3N3O4
Molecular Weight544.82 g/mol
Exact Mass543.05
IUPAC NameN-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1c(C(C)=O)c(=O)n(C)c2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C26H20Cl3N3O4/c1-13(33)22-24(30-21(34)12-36-3)19-11-18(14-4-6-15(27)7-5-14)23(31-25(19)32(2)26(22)35)17-9-8-16(28)10-20(17)29/h4-11H,12H2,1-3H3,(H,30,34)
InChIKeyOUGDMJNQRYKRBR-UHFFFAOYSA-N
XLogP6.02
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.82
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]-2-methoxyacetamide?
The IUPAC name of N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]-2-methoxyacetamide (CID 11318758) is N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]-2-methoxyacetamide?
The canonical SMILES for N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]-2-methoxyacetamide is COCC(=O)Nc1c(C(C)=O)c(=O)n(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-methyl-2-oxo-1,8-naphthyridin-4-yl]-2-methoxyacetamide?
The InChIKey is OUGDMJNQRYKRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20Cl3N3O4/c1-13(33)22-24(30-21(34)12-36-3)19-11-18(14-4-6-15(27)7-5-14)23(31-25(19)32(2)26(22)35)17-9-8-16(28)10-20(17)29/h4-11H,12H2,1-3H3,(H,30,34).
What are the key properties of N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]-2-methoxyacetamide?
N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]-2-methoxyacetamide has a molecular weight of 544.82 g/mol, XLogP of 6.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]-2-methoxyacetamide is sourced from PubChem (CID 11318758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).