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

C19H16BrN3O2 — CID 113178742

IUPAC2-[acetyl(quinolin-8-yl)amino]-N-(4-bromophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(Br)cc1)c1cccc2cccnc12
InChIInChI=1S/C19H16BrN3O2/c1-13(24)23(12-18(25)22-16-9-7-15(20)8-10-16)17-6-2-4-14-5-3-11-21-19(14)17/h2-11H,12H2,1H3,(H,22,25)
InChIKeyXCOHYHIJZAADTC-UHFFFAOYSA-N
MW398.26 g/mol
LogP3.99
Rot. Bonds4

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

2-[acetyl(quinolin-8-yl)amino]-N-(4-bromophenyl)acetamide (PubChem CID 113178742) has the molecular formula C19H16BrN3O2 and a molecular weight of 398.26 g/mol. Its IUPAC name is 2-[acetyl(quinolin-8-yl)amino]-N-(4-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(quinolin-8-yl)amino]-N-(4-bromophenyl)acetamide
PubChem CID113178742
Molecular FormulaC19H16BrN3O2
Molecular Weight398.26 g/mol
Exact Mass397.04
IUPAC Name2-[acetyl(quinolin-8-yl)amino]-N-(4-bromophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(Br)cc1)c1cccc2cccnc12
InChIInChI=1S/C19H16BrN3O2/c1-13(24)23(12-18(25)22-16-9-7-15(20)8-10-16)17-6-2-4-14-5-3-11-21-19(14)17/h2-11H,12H2,1H3,(H,22,25)
InChIKeyXCOHYHIJZAADTC-UHFFFAOYSA-N
XLogP3.99
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.26
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[acetyl(quinolin-8-yl)amino]-N-(4-bromophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-acetylphenyl)-2-[acetyl(quinolin-8-yl)amino]acetamide
CID 113178758
2-[acetyl(quinolin-8-yl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 113178753
2-[acetyl(quinolin-8-yl)amino]-N-(2,4-difluorophenyl)acetamide
CID 113178774
methyl 2-[[2-[acetyl(quinolin-8-yl)amino]acetyl]amino]benzoate
CID 113178761
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
2-(N-acetyl-3-methylanilino)-N-(4-bromophenyl)acetamide
CID 113167580

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(quinolin-8-yl)amino]-N-(4-bromophenyl)acetamide?
The IUPAC name of 2-[acetyl(quinolin-8-yl)amino]-N-(4-bromophenyl)acetamide (CID 113178742) is 2-[acetyl(quinolin-8-yl)amino]-N-(4-bromophenyl)acetamide.
What is the SMILES notation for 2-[acetyl(quinolin-8-yl)amino]-N-(4-bromophenyl)acetamide?
The canonical SMILES for 2-[acetyl(quinolin-8-yl)amino]-N-(4-bromophenyl)acetamide is CC(=O)N(CC(=O)Nc1ccc(Br)cc1)c1cccc2cccnc12.
What is the InChIKey of 2-[acetyl(quinolin-8-yl)amino]-N-(4-bromophenyl)acetamide?
The InChIKey is XCOHYHIJZAADTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O2/c1-13(24)23(12-18(25)22-16-9-7-15(20)8-10-16)17-6-2-4-14-5-3-11-21-19(14)17/h2-11H,12H2,1H3,(H,22,25).
What are the key properties of 2-[acetyl(quinolin-8-yl)amino]-N-(4-bromophenyl)acetamide?
2-[acetyl(quinolin-8-yl)amino]-N-(4-bromophenyl)acetamide has a molecular weight of 398.26 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(quinolin-8-yl)amino]-N-(4-bromophenyl)acetamide is sourced from PubChem (CID 113178742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).