N-(3-acetylphenyl)-2-[2-(4-methylphenyl)quinolin-4-yl]oxyacetamide

C26H22N2O3 — CID 46298896

IUPACN-(3-acetylphenyl)-2-[2-(4-methylphenyl)quinolin-4-yl]oxyacetamide
SMILESCC(=O)c1cccc(NC(=O)COc2cc(-c3ccc(C)cc3)nc3ccccc23)c1
InChIInChI=1S/C26H22N2O3/c1-17-10-12-19(13-11-17)24-15-25(22-8-3-4-9-23(22)28-24)31-16-26(30)27-21-7-5-6-20(14-21)18(2)29/h3-15H,16H2,1-2H3,(H,27,30)
InChIKeySVEAZPBQAUBXSL-UHFFFAOYSA-N
MW410.47 g/mol
LogP5.43
Rot. Bonds6

About N-(3-acetylphenyl)-2-[2-(4-methylphenyl)quinolin-4-yl]oxyacetamide

N-(3-acetylphenyl)-2-[2-(4-methylphenyl)quinolin-4-yl]oxyacetamide (PubChem CID 46298896) has the molecular formula C26H22N2O3 and a molecular weight of 410.47 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[2-(4-methylphenyl)quinolin-4-yl]oxyacetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[2-(4-methylphenyl)quinolin-4-yl]oxyacetamide
PubChem CID46298896
Molecular FormulaC26H22N2O3
Molecular Weight410.47 g/mol
Exact Mass410.16
IUPAC NameN-(3-acetylphenyl)-2-[2-(4-methylphenyl)quinolin-4-yl]oxyacetamide
SMILESCC(=O)c1cccc(NC(=O)COc2cc(-c3ccc(C)cc3)nc3ccccc23)c1
InChIInChI=1S/C26H22N2O3/c1-17-10-12-19(13-11-17)24-15-25(22-8-3-4-9-23(22)28-24)31-16-26(30)27-21-7-5-6-20(14-21)18(2)29/h3-15H,16H2,1-2H3,(H,27,30)
InChIKeySVEAZPBQAUBXSL-UHFFFAOYSA-N
XLogP5.43
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.47
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[2-(4-methylphenyl)quinolin-4-yl]oxyacetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[2-(4-methylphenyl)quinolin-4-yl]oxyacetamide (CID 46298896) is N-(3-acetylphenyl)-2-[2-(4-methylphenyl)quinolin-4-yl]oxyacetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[2-(4-methylphenyl)quinolin-4-yl]oxyacetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[2-(4-methylphenyl)quinolin-4-yl]oxyacetamide is CC(=O)c1cccc(NC(=O)COc2cc(-c3ccc(C)cc3)nc3ccccc23)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[2-(4-methylphenyl)quinolin-4-yl]oxyacetamide?
The InChIKey is SVEAZPBQAUBXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O3/c1-17-10-12-19(13-11-17)24-15-25(22-8-3-4-9-23(22)28-24)31-16-26(30)27-21-7-5-6-20(14-21)18(2)29/h3-15H,16H2,1-2H3,(H,27,30).
What are the key properties of N-(3-acetylphenyl)-2-[2-(4-methylphenyl)quinolin-4-yl]oxyacetamide?
N-(3-acetylphenyl)-2-[2-(4-methylphenyl)quinolin-4-yl]oxyacetamide has a molecular weight of 410.47 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[2-(4-methylphenyl)quinolin-4-yl]oxyacetamide is sourced from PubChem (CID 46298896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).