1-(2-methylsulfanylphenyl)-2-quinolin-4-ylethanone

C18H15NOS — CID 114979659

IUPAC1-(2-methylsulfanylphenyl)-2-quinolin-4-ylethanone
SMILESCSc1ccccc1C(=O)Cc1ccnc2ccccc12
InChIInChI=1S/C18H15NOS/c1-21-18-9-5-3-7-15(18)17(20)12-13-10-11-19-16-8-4-2-6-14(13)16/h2-11H,12H2,1H3
InChIKeyMODVGKCMOYPIQJ-UHFFFAOYSA-N
MW293.39 g/mol
LogP4.38
Rot. Bonds4

About 1-(2-methylsulfanylphenyl)-2-quinolin-4-ylethanone

1-(2-methylsulfanylphenyl)-2-quinolin-4-ylethanone (PubChem CID 114979659) has the molecular formula C18H15NOS and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-(2-methylsulfanylphenyl)-2-quinolin-4-ylethanone.

Molecular Properties

Compound Name1-(2-methylsulfanylphenyl)-2-quinolin-4-ylethanone
PubChem CID114979659
Molecular FormulaC18H15NOS
Molecular Weight293.39 g/mol
Exact Mass293.09
IUPAC Name1-(2-methylsulfanylphenyl)-2-quinolin-4-ylethanone
SMILESCSc1ccccc1C(=O)Cc1ccnc2ccccc12
InChIInChI=1S/C18H15NOS/c1-21-18-9-5-3-7-15(18)17(20)12-13-10-11-19-16-8-4-2-6-14(13)16/h2-11H,12H2,1H3
InChIKeyMODVGKCMOYPIQJ-UHFFFAOYSA-N
XLogP4.38
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-iodophenyl)-2-quinolin-4-ylethanone
CID 114979720
1-(2-methoxyphenyl)-2-quinolin-4-ylethanone
CID 11380387
1-(2-methylsulfanylphenyl)-2-quinolin-2-ylethanone
CID 79213616
1-(2-amino-5-methylphenyl)-2-quinolin-4-ylethanone
CID 116581336
1-quinolin-4-ylbutan-2-one
CID 15695851
1-(2-chlorophenyl)-2-quinolin-5-ylethanone;hydrobromide
CID 173164108
1-(2-amino-5-bromophenyl)-2-quinolin-4-ylethanone
CID 82697873
3-hydroxy-4,4-dimethyl-1-quinolin-4-ylpentan-2-one
CID 103456262
1-(4-iodophenyl)-2-quinolin-4-ylethanone
CID 114979738
1-(5-methylthiophen-2-yl)-2-quinolin-4-ylethanone
CID 114979736
1-(5-methylpyrazin-2-yl)-2-quinolin-4-ylethanone
CID 105109033
2-(2-methylphenyl)-1-quinolin-5-ylethanone
CID 81220706

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanylphenyl)-2-quinolin-4-ylethanone?
The IUPAC name of 1-(2-methylsulfanylphenyl)-2-quinolin-4-ylethanone (CID 114979659) is 1-(2-methylsulfanylphenyl)-2-quinolin-4-ylethanone.
What is the SMILES notation for 1-(2-methylsulfanylphenyl)-2-quinolin-4-ylethanone?
The canonical SMILES for 1-(2-methylsulfanylphenyl)-2-quinolin-4-ylethanone is CSc1ccccc1C(=O)Cc1ccnc2ccccc12.
What is the InChIKey of 1-(2-methylsulfanylphenyl)-2-quinolin-4-ylethanone?
The InChIKey is MODVGKCMOYPIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NOS/c1-21-18-9-5-3-7-15(18)17(20)12-13-10-11-19-16-8-4-2-6-14(13)16/h2-11H,12H2,1H3.
What are the key properties of 1-(2-methylsulfanylphenyl)-2-quinolin-4-ylethanone?
1-(2-methylsulfanylphenyl)-2-quinolin-4-ylethanone has a molecular weight of 293.39 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanylphenyl)-2-quinolin-4-ylethanone is sourced from PubChem (CID 114979659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).