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

C25H18Cl3N3O4 — CID 11341568

IUPACN-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]-2-hydroxyacetamide
SMILESCC(=O)c1c(NC(=O)CO)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2n(C)c1=O
InChIInChI=1S/C25H18Cl3N3O4/c1-12(33)21-23(29-20(34)11-32)18-10-17(13-3-5-14(26)6-4-13)22(30-24(18)31(2)25(21)35)16-8-7-15(27)9-19(16)28/h3-10,32H,11H2,1-2H3,(H,29,34)
InChIKeyXNWFTRFDCMFMOB-UHFFFAOYSA-N
MW530.80 g/mol
LogP5.36
Rot. Bonds5

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

N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]-2-hydroxyacetamide (PubChem CID 11341568) has the molecular formula C25H18Cl3N3O4 and a molecular weight of 530.80 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-hydroxyacetamide.

Molecular Properties

Compound NameN-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]-2-hydroxyacetamide
PubChem CID11341568
Molecular FormulaC25H18Cl3N3O4
Molecular Weight530.80 g/mol
Exact Mass529.04
IUPAC NameN-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]-2-hydroxyacetamide
SMILESCC(=O)c1c(NC(=O)CO)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2n(C)c1=O
InChIInChI=1S/C25H18Cl3N3O4/c1-12(33)21-23(29-20(34)11-32)18-10-17(13-3-5-14(26)6-4-13)22(30-24(18)31(2)25(21)35)16-8-7-15(27)9-19(16)28/h3-10,32H,11H2,1-2H3,(H,29,34)
InChIKeyXNWFTRFDCMFMOB-UHFFFAOYSA-N
XLogP5.36
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.80
LogP ≤ 55.36
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-methyl-2-oxo-1,8-naphthyridin-4-yl]-2-hydroxyacetamide?
The IUPAC name of N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]-2-hydroxyacetamide (CID 11341568) is N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]-2-hydroxyacetamide.
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-hydroxyacetamide?
The canonical SMILES for N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]-2-hydroxyacetamide is CC(=O)c1c(NC(=O)CO)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2n(C)c1=O.
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-hydroxyacetamide?
The InChIKey is XNWFTRFDCMFMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl3N3O4/c1-12(33)21-23(29-20(34)11-32)18-10-17(13-3-5-14(26)6-4-13)22(30-24(18)31(2)25(21)35)16-8-7-15(27)9-19(16)28/h3-10,32H,11H2,1-2H3,(H,29,34).
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-hydroxyacetamide?
N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]-2-hydroxyacetamide has a molecular weight of 530.80 g/mol, XLogP of 5.36, 5 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-methyl-2-oxo-1,8-naphthyridin-4-yl]-2-hydroxyacetamide is sourced from PubChem (CID 11341568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).