2-(7-bromo-4-oxoquinolin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide

C23H17BrN2O2S — CID 100740874

IUPAC2-(7-bromo-4-oxoquinolin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide
SMILESO=C(Cn1ccc(=O)c2ccc(Br)cc21)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C23H17BrN2O2S/c24-16-10-11-18-20(14-16)26(13-12-21(18)27)15-23(28)25-19-8-4-5-9-22(19)29-17-6-2-1-3-7-17/h1-14H,15H2,(H,25,28)
InChIKeyAUOSJGHPWROMCY-UHFFFAOYSA-N
MW465.37 g/mol
LogP5.55
Rot. Bonds5

About 2-(7-bromo-4-oxoquinolin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide

2-(7-bromo-4-oxoquinolin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide (PubChem CID 100740874) has the molecular formula C23H17BrN2O2S and a molecular weight of 465.37 g/mol. Its IUPAC name is 2-(7-bromo-4-oxoquinolin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(7-bromo-4-oxoquinolin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide
PubChem CID100740874
Molecular FormulaC23H17BrN2O2S
Molecular Weight465.37 g/mol
Exact Mass464.02
IUPAC Name2-(7-bromo-4-oxoquinolin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide
SMILESO=C(Cn1ccc(=O)c2ccc(Br)cc21)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C23H17BrN2O2S/c24-16-10-11-18-20(14-16)26(13-12-21(18)27)15-23(28)25-19-8-4-5-9-22(19)29-17-6-2-1-3-7-17/h1-14H,15H2,(H,25,28)
InChIKeyAUOSJGHPWROMCY-UHFFFAOYSA-N
XLogP5.55
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.37
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(7-bromo-4-oxoquinolin-1-yl)-N-(2-phenylsulfanylphenyl)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

2-(7-bromo-4-oxoquinolin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 100740298
2-(7-bromo-4-oxoquinolin-1-yl)-N-propan-2-ylacetamide
CID 100739512
2-(7-bromo-4-oxoquinolin-1-yl)-N-(3,5-dimethylphenyl)acetamide
CID 100739906
2-(7-bromo-4-oxoquinolin-1-yl)-N-(2,6-diethylphenyl)acetamide
CID 100740902
2-(7-bromo-4-oxoquinolin-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 100740360
methyl 4-[[2-(7-bromo-4-oxoquinolin-1-yl)acetyl]amino]benzoate
CID 100740419
N-(2-hydroxyphenyl)-2-(4-oxoquinolin-1-yl)acetamide
CID 47840872
2-(7-bromo-4-oxoquinolin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 100739658
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-phenylsulfanylphenyl)acetamide
CID 2096913
N-benzyl-2-(6-bromo-4-oxoquinolin-1-yl)acetamide
CID 100736190
N-(2-phenylsulfanylphenyl)-2-pyrrolidin-1-ylacetamide
CID 4879989
2-hydroxy-N-(2-phenylsulfanylphenyl)acetamide
CID 8006850

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-4-oxoquinolin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide?
The IUPAC name of 2-(7-bromo-4-oxoquinolin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide (CID 100740874) is 2-(7-bromo-4-oxoquinolin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(7-bromo-4-oxoquinolin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(7-bromo-4-oxoquinolin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide is O=C(Cn1ccc(=O)c2ccc(Br)cc21)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of 2-(7-bromo-4-oxoquinolin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide?
The InChIKey is AUOSJGHPWROMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17BrN2O2S/c24-16-10-11-18-20(14-16)26(13-12-21(18)27)15-23(28)25-19-8-4-5-9-22(19)29-17-6-2-1-3-7-17/h1-14H,15H2,(H,25,28).
What are the key properties of 2-(7-bromo-4-oxoquinolin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide?
2-(7-bromo-4-oxoquinolin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide has a molecular weight of 465.37 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-4-oxoquinolin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide is sourced from PubChem (CID 100740874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).