1-(2,6-dichlorophenyl)-2-[1-(4-fluorophenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinolin-7-yl]ethanone

C24H20Cl2FNO3S — CID 161114555

About 1-(2,6-dichlorophenyl)-2-[1-(4-fluorophenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinolin-7-yl]ethanone

1-(2,6-dichlorophenyl)-2-[1-(4-fluorophenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinolin-7-yl]ethanone (PubChem CID 161114555) has the molecular formula C24H20Cl2FNO3S and a molecular weight of 492.40 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-2-[1-(4-fluorophenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinolin-7-yl]ethanone.

Molecular Properties

• Compound Name: 1-(2,6-dichlorophenyl)-2-[1-(4-fluorophenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinolin-7-yl]ethanone
• PubChem CID: 161114555
• Molecular Formula: C24H20Cl2FNO3S
• Molecular Weight: 492.40 g/mol
• Exact Mass: 491.05
• IUPAC Name: 1-(2,6-dichlorophenyl)-2-[1-(4-fluorophenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinolin-7-yl]ethanone
• SMILES: Cc1cc2c(cc1CC(=O)c1c(Cl)cccc1Cl)N(S(=O)(=O)c1ccc(F)cc1)CCC2
• InChI: InChI=1S/C24H20Cl2FNO3S/c1-15-12-16-4-3-11-28(32(30,31)19-9-7-18(27)8-10-19)22(16)13-17(15)14-23(29)24-20(25)5-2-6-21(24)26/h2,5-10,12-13H,3-4,11,14H2,1H3
• InChIKey: UKDHPIYUGAJGLC-UHFFFAOYSA-N
• XLogP: 6.01
• TPSA: 54.45 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.40
LogP ≤ 5	6.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-2-[1-(4-fluorophenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinolin-7-yl]ethanone?

The IUPAC name of 1-(2,6-dichlorophenyl)-2-[1-(4-fluorophenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinolin-7-yl]ethanone (CID 161114555) is 1-(2,6-dichlorophenyl)-2-[1-(4-fluorophenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinolin-7-yl]ethanone.

What is the SMILES notation for 1-(2,6-dichlorophenyl)-2-[1-(4-fluorophenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinolin-7-yl]ethanone?

The canonical SMILES for 1-(2,6-dichlorophenyl)-2-[1-(4-fluorophenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinolin-7-yl]ethanone is Cc1cc2c(cc1CC(=O)c1c(Cl)cccc1Cl)N(S(=O)(=O)c1ccc(F)cc1)CCC2.

What is the InChIKey of 1-(2,6-dichlorophenyl)-2-[1-(4-fluorophenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinolin-7-yl]ethanone?

The InChIKey is UKDHPIYUGAJGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2FNO3S/c1-15-12-16-4-3-11-28(32(30,31)19-9-7-18(27)8-10-19)22(16)13-17(15)14-23(29)24-20(25)5-2-6-21(24)26/h2,5-10,12-13H,3-4,11,14H2,1H3.

What are the key properties of 1-(2,6-dichlorophenyl)-2-[1-(4-fluorophenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinolin-7-yl]ethanone?

1-(2,6-dichlorophenyl)-2-[1-(4-fluorophenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinolin-7-yl]ethanone has a molecular weight of 492.40 g/mol, XLogP of 6.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,6-dichlorophenyl)-2-[1-(4-fluorophenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinolin-7-yl]ethanone is sourced from PubChem (CID 161114555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).