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

C26H20Cl3N3O4 — CID 11444148

IUPACN-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-(2-hydroxyethyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide
SMILESCC(=O)Nc1c(C(C)=O)c(=O)n(CCO)c2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C26H20Cl3N3O4/c1-13(34)22-24(30-14(2)35)20-12-19(15-3-5-16(27)6-4-15)23(18-8-7-17(28)11-21(18)29)31-25(20)32(9-10-33)26(22)36/h3-8,11-12,33H,9-10H2,1-2H3,(H,30,35)
InChIKeyJOSUFAGDYSRBJW-UHFFFAOYSA-N
MW544.82 g/mol
LogP5.84
Rot. Bonds6

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

N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-(2-hydroxyethyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide (PubChem CID 11444148) 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-(2-hydroxyethyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide.

Molecular Properties

Compound NameN-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-(2-hydroxyethyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide
PubChem CID11444148
Molecular FormulaC26H20Cl3N3O4
Molecular Weight544.82 g/mol
Exact Mass543.05
IUPAC NameN-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-(2-hydroxyethyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide
SMILESCC(=O)Nc1c(C(C)=O)c(=O)n(CCO)c2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C26H20Cl3N3O4/c1-13(34)22-24(30-14(2)35)20-12-19(15-3-5-16(27)6-4-15)23(18-8-7-17(28)11-21(18)29)31-25(20)32(9-10-33)26(22)36/h3-8,11-12,33H,9-10H2,1-2H3,(H,30,35)
InChIKeyJOSUFAGDYSRBJW-UHFFFAOYSA-N
XLogP5.84
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.82
LogP ≤ 55.84
H-Bond Donors ≤ 52
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-(2-hydroxyethyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide?
The IUPAC name of N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-(2-hydroxyethyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide (CID 11444148) is N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-(2-hydroxyethyl)-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-hydroxyethyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide?
The canonical SMILES for N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-(2-hydroxyethyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide is CC(=O)Nc1c(C(C)=O)c(=O)n(CCO)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-hydroxyethyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide?
The InChIKey is JOSUFAGDYSRBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20Cl3N3O4/c1-13(34)22-24(30-14(2)35)20-12-19(15-3-5-16(27)6-4-15)23(18-8-7-17(28)11-21(18)29)31-25(20)32(9-10-33)26(22)36/h3-8,11-12,33H,9-10H2,1-2H3,(H,30,35).
What are the key properties of N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-(2-hydroxyethyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide?
N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-(2-hydroxyethyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide has a molecular weight of 544.82 g/mol, XLogP of 5.84, 6 rotatable bonds, 2 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-(2-hydroxyethyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide is sourced from PubChem (CID 11444148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).