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

C27H22Cl3N3O4 — CID 11192215

IUPACN-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-(2-methoxyethyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide
SMILESCOCCn1c(=O)c(C(C)=O)c(NC(C)=O)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc21
InChIInChI=1S/C27H22Cl3N3O4/c1-14(34)23-25(31-15(2)35)21-13-20(16-4-6-17(28)7-5-16)24(19-9-8-18(29)12-22(19)30)32-26(21)33(27(23)36)10-11-37-3/h4-9,12-13H,10-11H2,1-3H3,(H,31,35)
InChIKeyFBTJXTNIWICRLD-UHFFFAOYSA-N
MW558.85 g/mol
LogP6.50
Rot. Bonds7

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

N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-(2-methoxyethyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide (PubChem CID 11192215) has the molecular formula C27H22Cl3N3O4 and a molecular weight of 558.85 g/mol. Its IUPAC name is N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-(2-methoxyethyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide.

Molecular Properties

Compound NameN-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-(2-methoxyethyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide
PubChem CID11192215
Molecular FormulaC27H22Cl3N3O4
Molecular Weight558.85 g/mol
Exact Mass557.07
IUPAC NameN-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-(2-methoxyethyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide
SMILESCOCCn1c(=O)c(C(C)=O)c(NC(C)=O)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc21
InChIInChI=1S/C27H22Cl3N3O4/c1-14(34)23-25(31-15(2)35)21-13-20(16-4-6-17(28)7-5-16)24(19-9-8-18(29)12-22(19)30)32-26(21)33(27(23)36)10-11-37-3/h4-9,12-13H,10-11H2,1-3H3,(H,31,35)
InChIKeyFBTJXTNIWICRLD-UHFFFAOYSA-N
XLogP6.50
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.85
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 11386747
CID 11386747
CID 11167681
CID 11167681
CID 11260007
CID 11260007
CID 11283445
CID 11283445
CID 11318758
CID 11318758
CID 11341568
CID 11341568
CID 11386749
CID 11386749
CID 11410344
CID 11410344
CID 11443469
CID 11443469
CID 11444148
CID 11444148
CID 11454267
CID 11454267
CID 11467430
CID 11467430

Frequently Asked Questions

What is the IUPAC name of N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-(2-methoxyethyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide?
The IUPAC name of N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-(2-methoxyethyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide (CID 11192215) is N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-(2-methoxyethyl)-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-methoxyethyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide?
The canonical SMILES for N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-(2-methoxyethyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide is COCCn1c(=O)c(C(C)=O)c(NC(C)=O)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc21.
What is the InChIKey of N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-(2-methoxyethyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide?
The InChIKey is FBTJXTNIWICRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22Cl3N3O4/c1-14(34)23-25(31-15(2)35)21-13-20(16-4-6-17(28)7-5-16)24(19-9-8-18(29)12-22(19)30)32-26(21)33(27(23)36)10-11-37-3/h4-9,12-13H,10-11H2,1-3H3,(H,31,35).
What are the key properties of N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-(2-methoxyethyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide?
N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-(2-methoxyethyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide has a molecular weight of 558.85 g/mol, XLogP of 6.50, 7 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-(2-methoxyethyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide is sourced from PubChem (CID 11192215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).