1-phenyl-2-quinolin-8-ylsulfanylethanone

C17H13NOS — CID 23884541

IUPAC1-phenyl-2-quinolin-8-ylsulfanylethanone
SMILESO=C(CSc1cccc2cccnc12)c1ccccc1
InChIInChI=1S/C17H13NOS/c19-15(13-6-2-1-3-7-13)12-20-16-10-4-8-14-9-5-11-18-17(14)16/h1-11H,12H2
InChIKeyPPUWVYBSTABKKS-UHFFFAOYSA-N
MW279.36 g/mol
LogP4.21
Rot. Bonds4

About 1-phenyl-2-quinolin-8-ylsulfanylethanone

1-phenyl-2-quinolin-8-ylsulfanylethanone (PubChem CID 23884541) has the molecular formula C17H13NOS and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-phenyl-2-quinolin-8-ylsulfanylethanone.

Molecular Properties

Compound Name1-phenyl-2-quinolin-8-ylsulfanylethanone
PubChem CID23884541
Molecular FormulaC17H13NOS
Molecular Weight279.36 g/mol
Exact Mass279.07
IUPAC Name1-phenyl-2-quinolin-8-ylsulfanylethanone
SMILESO=C(CSc1cccc2cccnc12)c1ccccc1
InChIInChI=1S/C17H13NOS/c19-15(13-6-2-1-3-7-13)12-20-16-10-4-8-14-9-5-11-18-17(14)16/h1-11H,12H2
InChIKeyPPUWVYBSTABKKS-UHFFFAOYSA-N
XLogP4.21
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-phenyl-2-quinolin-8-ylsulfanylethanone 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-phenylphenyl)-2-quinolin-8-ylsulfanylethanone
CID 2222844
N-benzyl-2-quinolin-8-ylsulfanylacetamide
CID 673909
1-phenyl-2-quinolin-8-ylethanone
CID 171934139
1-(2,4-dimethylphenyl)-2-quinolin-8-ylsulfanylethanone
CID 872997
tris(1,3-diphenylpropane-1,3-dione);1,10-phenanthroline;terbium
CID 161336621
ethyl 2-quinolin-8-ylsulfanylacetate
CID 975565
1-S,2-S-diquinolin-8-yl ethanebis(thioate)
CID 2318009
1-(1-adamantyl)-2-quinolin-8-ylsulfanylethanone;hydrochloride
CID 18462542
N,N-bis(2-cyanoethyl)-2-quinolin-8-ylsulfanylacetamide
CID 17385990
1-phenyl-3-quinolin-8-yliminobutan-1-one
CID 90728099
N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 5435358
8-sulfosulfanylquinoline
CID 175491006

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-quinolin-8-ylsulfanylethanone?
The IUPAC name of 1-phenyl-2-quinolin-8-ylsulfanylethanone (CID 23884541) is 1-phenyl-2-quinolin-8-ylsulfanylethanone.
What is the SMILES notation for 1-phenyl-2-quinolin-8-ylsulfanylethanone?
The canonical SMILES for 1-phenyl-2-quinolin-8-ylsulfanylethanone is O=C(CSc1cccc2cccnc12)c1ccccc1.
What is the InChIKey of 1-phenyl-2-quinolin-8-ylsulfanylethanone?
The InChIKey is PPUWVYBSTABKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NOS/c19-15(13-6-2-1-3-7-13)12-20-16-10-4-8-14-9-5-11-18-17(14)16/h1-11H,12H2.
What are the key properties of 1-phenyl-2-quinolin-8-ylsulfanylethanone?
1-phenyl-2-quinolin-8-ylsulfanylethanone has a molecular weight of 279.36 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-quinolin-8-ylsulfanylethanone is sourced from PubChem (CID 23884541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).