2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone

C22H23NOS — CID 8004363

IUPAC2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CSc2cc(C)c3cccc(C)c3n2)c(C)c1
InChIInChI=1S/C22H23NOS/c1-13-9-16(4)21(17(5)10-13)19(24)12-25-20-11-15(3)18-8-6-7-14(2)22(18)23-20/h6-11H,12H2,1-5H3
InChIKeyAMZZSGDQCIUCGH-UHFFFAOYSA-N
MW349.50 g/mol
LogP5.75
Rot. Bonds4

About 2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone

2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone (PubChem CID 8004363) has the molecular formula C22H23NOS and a molecular weight of 349.50 g/mol. Its IUPAC name is 2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone
PubChem CID8004363
Molecular FormulaC22H23NOS
Molecular Weight349.50 g/mol
Exact Mass349.15
IUPAC Name2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CSc2cc(C)c3cccc(C)c3n2)c(C)c1
InChIInChI=1S/C22H23NOS/c1-13-9-16(4)21(17(5)10-13)19(24)12-25-20-11-15(3)18-8-6-7-14(2)22(18)23-20/h6-11H,12H2,1-5H3
InChIKeyAMZZSGDQCIUCGH-UHFFFAOYSA-N
XLogP5.75
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.50
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone?
The IUPAC name of 2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone (CID 8004363) is 2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone.
What is the SMILES notation for 2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone?
The canonical SMILES for 2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone is Cc1cc(C)c(C(=O)CSc2cc(C)c3cccc(C)c3n2)c(C)c1.
What is the InChIKey of 2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone?
The InChIKey is AMZZSGDQCIUCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NOS/c1-13-9-16(4)21(17(5)10-13)19(24)12-25-20-11-15(3)18-8-6-7-14(2)22(18)23-20/h6-11H,12H2,1-5H3.
What are the key properties of 2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone?
2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone has a molecular weight of 349.50 g/mol, XLogP of 5.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone is sourced from PubChem (CID 8004363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).