1-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]-2-methylsulfonylethanone

C25H21ClN2O3S — CID 158401434

IUPAC1-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]-2-methylsulfonylethanone
SMILESCc1cc2nc(C(=O)CS(C)(=O)=O)cc(-c3ccccc3Cl)c2c(C)c1-c1ccncc1
InChIInChI=1S/C25H21ClN2O3S/c1-15-12-22-25(16(2)24(15)17-8-10-27-11-9-17)19(18-6-4-5-7-20(18)26)13-21(28-22)23(29)14-32(3,30)31/h4-13H,14H2,1-3H3
InChIKeyGYDLMCWEOFJZAR-UHFFFAOYSA-N
MW464.97 g/mol
LogP5.46
Rot. Bonds5

About 1-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]-2-methylsulfonylethanone

1-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]-2-methylsulfonylethanone (PubChem CID 158401434) has the molecular formula C25H21ClN2O3S and a molecular weight of 464.97 g/mol. Its IUPAC name is 1-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]-2-methylsulfonylethanone.

Molecular Properties

Compound Name1-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]-2-methylsulfonylethanone
PubChem CID158401434
Molecular FormulaC25H21ClN2O3S
Molecular Weight464.97 g/mol
Exact Mass464.10
IUPAC Name1-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]-2-methylsulfonylethanone
SMILESCc1cc2nc(C(=O)CS(C)(=O)=O)cc(-c3ccccc3Cl)c2c(C)c1-c1ccncc1
InChIInChI=1S/C25H21ClN2O3S/c1-15-12-22-25(16(2)24(15)17-8-10-27-11-9-17)19(18-6-4-5-7-20(18)26)13-21(28-22)23(29)14-32(3,30)31/h4-13H,14H2,1-3H3
InChIKeyGYDLMCWEOFJZAR-UHFFFAOYSA-N
XLogP5.46
TPSA76.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.97
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]-2-methylsulfonylethanone 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

1-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]ethanone;2-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]propan-2-ol
CID 160809578
4-(2-chlorophenyl)-N,5,7-trimethyl-6-pyridin-4-ylquinoline-2-sulfonamide
CID 126594038
4-(2-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide
CID 126594085
methyl 4-(2-chlorophenyl)-5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]quinoline-2-carboxylate
CID 126594106
6-chloro-8-oxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-15-carboxylic acid
CID 10678131
5,7-dimethyl-4-phenyl-6-pyridin-4-ylchromen-2-one
CID 71549486
4,6-dimethyl-5-pyridin-4-ylpyridine-2-carboxamide
CID 177186371
N-(2-chlorophenyl)-N-[3-(2,3-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide
CID 69007145
4-(2-chlorophenyl)-6,8-dimethylquinoline-2-carboxylic acid
CID 19788037
3-(2,3-dichlorophenyl)-2,6-dimethyl-5-pyridin-4-ylpyridine
CID 56983111
4-(3-chloroazulen-1-yl)pyridine
CID 127025394
6-(2-chlorophenyl)-2-methylquinoline-4-carboxylic acid
CID 143413176

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]-2-methylsulfonylethanone?
The IUPAC name of 1-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]-2-methylsulfonylethanone (CID 158401434) is 1-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]-2-methylsulfonylethanone.
What is the SMILES notation for 1-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]-2-methylsulfonylethanone?
The canonical SMILES for 1-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]-2-methylsulfonylethanone is Cc1cc2nc(C(=O)CS(C)(=O)=O)cc(-c3ccccc3Cl)c2c(C)c1-c1ccncc1.
What is the InChIKey of 1-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]-2-methylsulfonylethanone?
The InChIKey is GYDLMCWEOFJZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O3S/c1-15-12-22-25(16(2)24(15)17-8-10-27-11-9-17)19(18-6-4-5-7-20(18)26)13-21(28-22)23(29)14-32(3,30)31/h4-13H,14H2,1-3H3.
What are the key properties of 1-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]-2-methylsulfonylethanone?
1-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]-2-methylsulfonylethanone has a molecular weight of 464.97 g/mol, XLogP of 5.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]-2-methylsulfonylethanone is sourced from PubChem (CID 158401434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).