N-(4-acetylphenyl)-2-[acetyl(quinolin-8-yl)amino]acetamide

C21H19N3O3 — CID 113178758

IUPACN-(4-acetylphenyl)-2-[acetyl(quinolin-8-yl)amino]acetamide
SMILESCC(=O)c1ccc(NC(=O)CN(C(C)=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C21H19N3O3/c1-14(25)16-8-10-18(11-9-16)23-20(27)13-24(15(2)26)19-7-3-5-17-6-4-12-22-21(17)19/h3-12H,13H2,1-2H3,(H,23,27)
InChIKeyALDHQEWLZBKNBB-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.43
Rot. Bonds5

About N-(4-acetylphenyl)-2-[acetyl(quinolin-8-yl)amino]acetamide

N-(4-acetylphenyl)-2-[acetyl(quinolin-8-yl)amino]acetamide (PubChem CID 113178758) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[acetyl(quinolin-8-yl)amino]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[acetyl(quinolin-8-yl)amino]acetamide
PubChem CID113178758
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN-(4-acetylphenyl)-2-[acetyl(quinolin-8-yl)amino]acetamide
SMILESCC(=O)c1ccc(NC(=O)CN(C(C)=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C21H19N3O3/c1-14(25)16-8-10-18(11-9-16)23-20(27)13-24(15(2)26)19-7-3-5-17-6-4-12-22-21(17)19/h3-12H,13H2,1-2H3,(H,23,27)
InChIKeyALDHQEWLZBKNBB-UHFFFAOYSA-N
XLogP3.43
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[acetyl(quinolin-8-yl)amino]-N-(4-bromophenyl)acetamide
CID 113178742
2-[acetyl(quinolin-8-yl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 113178753
2-(N-acetyl-2-tert-butylanilino)-N-(4-acetylphenyl)acetamide
CID 113170515
methyl 2-[[2-[acetyl(quinolin-8-yl)amino]acetyl]amino]benzoate
CID 113178761
2-[acetyl(quinolin-8-yl)amino]-N-(2,4-difluorophenyl)acetamide
CID 113178774
3-[acetyl(quinolin-8-yl)amino]-N-(4-cyanophenyl)propanamide
CID 113133291
2-[acetyl(quinolin-8-yl)amino]-N-pentylacetamide
CID 113178698
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-quinolin-8-ylacetamide
CID 113175089
2-[acetyl(quinolin-8-yl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 113178693
2-[acetyl(quinolin-8-yl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113178673
2-[acetyl(quinolin-8-yl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113178677
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-quinolin-8-ylacetamide
CID 113178652

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[acetyl(quinolin-8-yl)amino]acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[acetyl(quinolin-8-yl)amino]acetamide (CID 113178758) is N-(4-acetylphenyl)-2-[acetyl(quinolin-8-yl)amino]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[acetyl(quinolin-8-yl)amino]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[acetyl(quinolin-8-yl)amino]acetamide is CC(=O)c1ccc(NC(=O)CN(C(C)=O)c2cccc3cccnc23)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[acetyl(quinolin-8-yl)amino]acetamide?
The InChIKey is ALDHQEWLZBKNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-14(25)16-8-10-18(11-9-16)23-20(27)13-24(15(2)26)19-7-3-5-17-6-4-12-22-21(17)19/h3-12H,13H2,1-2H3,(H,23,27).
What are the key properties of N-(4-acetylphenyl)-2-[acetyl(quinolin-8-yl)amino]acetamide?
N-(4-acetylphenyl)-2-[acetyl(quinolin-8-yl)amino]acetamide has a molecular weight of 361.40 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[acetyl(quinolin-8-yl)amino]acetamide is sourced from PubChem (CID 113178758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).