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

C18H15NOS — CID 79213616

IUPAC1-(2-methylsulfanylphenyl)-2-quinolin-2-ylethanone
SMILESCSc1ccccc1C(=O)Cc1ccc2ccccc2n1
InChIInChI=1S/C18H15NOS/c1-21-18-9-5-3-7-15(18)17(20)12-14-11-10-13-6-2-4-8-16(13)19-14/h2-11H,12H2,1H3
InChIKeyPSYGEQHFBDRHKC-UHFFFAOYSA-N
MW293.39 g/mol
LogP4.38
Rot. Bonds4

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

1-(2-methylsulfanylphenyl)-2-quinolin-2-ylethanone (PubChem CID 79213616) has the molecular formula C18H15NOS and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-(2-methylsulfanylphenyl)-2-quinolin-2-ylethanone.

Molecular Properties

Compound Name1-(2-methylsulfanylphenyl)-2-quinolin-2-ylethanone
PubChem CID79213616
Molecular FormulaC18H15NOS
Molecular Weight293.39 g/mol
Exact Mass293.09
IUPAC Name1-(2-methylsulfanylphenyl)-2-quinolin-2-ylethanone
SMILESCSc1ccccc1C(=O)Cc1ccc2ccccc2n1
InChIInChI=1S/C18H15NOS/c1-21-18-9-5-3-7-15(18)17(20)12-14-11-10-13-6-2-4-8-16(13)19-14/h2-11H,12H2,1H3
InChIKeyPSYGEQHFBDRHKC-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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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanylphenyl)-2-quinolin-2-ylethanone?
The IUPAC name of 1-(2-methylsulfanylphenyl)-2-quinolin-2-ylethanone (CID 79213616) is 1-(2-methylsulfanylphenyl)-2-quinolin-2-ylethanone.
What is the SMILES notation for 1-(2-methylsulfanylphenyl)-2-quinolin-2-ylethanone?
The canonical SMILES for 1-(2-methylsulfanylphenyl)-2-quinolin-2-ylethanone is CSc1ccccc1C(=O)Cc1ccc2ccccc2n1.
What is the InChIKey of 1-(2-methylsulfanylphenyl)-2-quinolin-2-ylethanone?
The InChIKey is PSYGEQHFBDRHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NOS/c1-21-18-9-5-3-7-15(18)17(20)12-14-11-10-13-6-2-4-8-16(13)19-14/h2-11H,12H2,1H3.
What are the key properties of 1-(2-methylsulfanylphenyl)-2-quinolin-2-ylethanone?
1-(2-methylsulfanylphenyl)-2-quinolin-2-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-2-ylethanone is sourced from PubChem (CID 79213616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).