N-[6-(4-chlorophenyl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]-2-(4-methylsulfonylphenyl)acetamide

C25H23ClN2O4S — CID 118145052

IUPACN-[6-(4-chlorophenyl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]-2-(4-methylsulfonylphenyl)acetamide
SMILESCC1(c2ccc(Cl)cc2)CCc2nc(NC(=O)Cc3ccc(S(C)(=O)=O)cc3)ccc2C1=O
InChIInChI=1S/C25H23ClN2O4S/c1-25(17-5-7-18(26)8-6-17)14-13-21-20(24(25)30)11-12-22(27-21)28-23(29)15-16-3-9-19(10-4-16)33(2,31)32/h3-12H,13-15H2,1-2H3,(H,27,28,29)
InChIKeyQDRVQDFQZALLKS-UHFFFAOYSA-N
MW482.99 g/mol
LogP4.41
Rot. Bonds5

About N-[6-(4-chlorophenyl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]-2-(4-methylsulfonylphenyl)acetamide

N-[6-(4-chlorophenyl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]-2-(4-methylsulfonylphenyl)acetamide (PubChem CID 118145052) has the molecular formula C25H23ClN2O4S and a molecular weight of 482.99 g/mol. Its IUPAC name is N-[6-(4-chlorophenyl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]-2-(4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[6-(4-chlorophenyl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]-2-(4-methylsulfonylphenyl)acetamide
PubChem CID118145052
Molecular FormulaC25H23ClN2O4S
Molecular Weight482.99 g/mol
Exact Mass482.11
IUPAC NameN-[6-(4-chlorophenyl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]-2-(4-methylsulfonylphenyl)acetamide
SMILESCC1(c2ccc(Cl)cc2)CCc2nc(NC(=O)Cc3ccc(S(C)(=O)=O)cc3)ccc2C1=O
InChIInChI=1S/C25H23ClN2O4S/c1-25(17-5-7-18(26)8-6-17)14-13-21-20(24(25)30)11-12-22(27-21)28-23(29)15-16-3-9-19(10-4-16)33(2,31)32/h3-12H,13-15H2,1-2H3,(H,27,28,29)
InChIKeyQDRVQDFQZALLKS-UHFFFAOYSA-N
XLogP4.41
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.99
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(4-chlorophenyl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]-2-[4-(2-methoxyethylsulfonyl)phenyl]acetamide
CID 118143436
N-[6-(4-chlorophenyl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]-2-[4-(2-methoxyethylsulfinyl)phenyl]acetamide;ethane
CID 144855664
2-(4-ethylsulfonylphenyl)-N-(6-methyl-5-oxo-6-pyrazol-1-yl-7,8-dihydroquinolin-2-yl)acetamide
CID 122704123
2-(4-ethylsulfonylphenyl)-N-[6-(3-fluoro-2-methylimidazo[1,2-a]pyrazin-8-yl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]acetamide
CID 122704114
2-(4-ethylsulfanylphenyl)-N-(5-oxo-6,6-diphenyl-7,8-dihydroquinolin-2-yl)acetamide
CID 144855668
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methylsulfonylphenyl)acetamide
CID 40811632
6-[6-[3-[4-[2-[[6-(2,6-dimethylpyrimidin-4-yl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]amino]-2-oxoethyl]phenyl]sulfonylpropyl]-2-methylpyrimidin-4-yl]-N-[(4-ethylsulfonylphenyl)methyl]-6-methyl-5-oxo-7,8-dihydroquinoline-2-carboxamide
CID 170605279
N-[6-(4,6-dimethylpyrimidin-2-yl)-4,6-dimethyl-5-oxo-7,8-dihydroquinolin-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
CID 122704060
N-[4,6-dimethyl-6-(1-methylbenzimidazol-5-yl)-5-oxo-7,8-dihydroquinolin-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
CID 122704143
N-(5-amino-6-methyl-2-pyridinyl)-2-(4-chlorophenyl)acetamide
CID 82330943
2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 11438271
2-(4-ethylsulfonylphenyl)-N-[6-(6-methoxy-5-methylpyridazin-3-yl)-4,6-dimethyl-5-oxo-7,8-dihydroquinolin-2-yl]acetamide
CID 122704128

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-chlorophenyl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]-2-(4-methylsulfonylphenyl)acetamide?
The IUPAC name of N-[6-(4-chlorophenyl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]-2-(4-methylsulfonylphenyl)acetamide (CID 118145052) is N-[6-(4-chlorophenyl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]-2-(4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[6-(4-chlorophenyl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]-2-(4-methylsulfonylphenyl)acetamide?
The canonical SMILES for N-[6-(4-chlorophenyl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]-2-(4-methylsulfonylphenyl)acetamide is CC1(c2ccc(Cl)cc2)CCc2nc(NC(=O)Cc3ccc(S(C)(=O)=O)cc3)ccc2C1=O.
What is the InChIKey of N-[6-(4-chlorophenyl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]-2-(4-methylsulfonylphenyl)acetamide?
The InChIKey is QDRVQDFQZALLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O4S/c1-25(17-5-7-18(26)8-6-17)14-13-21-20(24(25)30)11-12-22(27-21)28-23(29)15-16-3-9-19(10-4-16)33(2,31)32/h3-12H,13-15H2,1-2H3,(H,27,28,29).
What are the key properties of N-[6-(4-chlorophenyl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]-2-(4-methylsulfonylphenyl)acetamide?
N-[6-(4-chlorophenyl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]-2-(4-methylsulfonylphenyl)acetamide has a molecular weight of 482.99 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-chlorophenyl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]-2-(4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 118145052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).