3-phenyl-1-(8-sulfanylquinolin-5-yl)propan-1-one

C18H15NOS — CID 157109723

IUPAC3-phenyl-1-(8-sulfanylquinolin-5-yl)propan-1-one
SMILESO=C(CCc1ccccc1)c1ccc(S)c2ncccc12
InChIInChI=1S/C18H15NOS/c20-16(10-8-13-5-2-1-3-6-13)14-9-11-17(21)18-15(14)7-4-12-19-18/h1-7,9,11-12,21H,8,10H2
InChIKeyAGSAAYNRUWCNJG-UHFFFAOYSA-N
MW293.39 g/mol
LogP4.34
Rot. Bonds4

About 3-phenyl-1-(8-sulfanylquinolin-5-yl)propan-1-one

3-phenyl-1-(8-sulfanylquinolin-5-yl)propan-1-one (PubChem CID 157109723) has the molecular formula C18H15NOS and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-phenyl-1-(8-sulfanylquinolin-5-yl)propan-1-one.

Molecular Properties

Compound Name3-phenyl-1-(8-sulfanylquinolin-5-yl)propan-1-one
PubChem CID157109723
Molecular FormulaC18H15NOS
Molecular Weight293.39 g/mol
Exact Mass293.09
IUPAC Name3-phenyl-1-(8-sulfanylquinolin-5-yl)propan-1-one
SMILESO=C(CCc1ccccc1)c1ccc(S)c2ncccc12
InChIInChI=1S/C18H15NOS/c20-16(10-8-13-5-2-1-3-6-13)14-9-11-17(21)18-15(14)7-4-12-19-18/h1-7,9,11-12,21H,8,10H2
InChIKeyAGSAAYNRUWCNJG-UHFFFAOYSA-N
XLogP4.34
TPSA29.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

5-phenyl-1-(8-sulfanylquinolin-5-yl)pentan-1-one
CID 161319830
N-(2-amino-2-oxoethyl)-4-oxo-4-(8-sulfanylquinolin-5-yl)butanamide
CID 158160980
N-benzyl-N-propan-2-yl-8-sulfanylquinoline-5-carboxamide
CID 159978854
1-naphthalen-1-yl-3-phenylpropan-1-one
CID 20764678
4-methyl-1-(8-sulfanylquinolin-4-yl)pentan-1-one
CID 161265475
4-phenyl-1-quinolin-8-ylbutan-1-one
CID 105093201
N-[2-(dimethylamino)ethyl]-N-ethyl-8-sulfanylquinoline-5-carboxamide
CID 161259110
8-(benzylamino)quinoline-5-carboxamide
CID 58516198
3-pyrrolidin-2-yl-1-(8-sulfanylquinolin-4-yl)propan-1-one
CID 158930235
1-quinolin-5-yl-3-thiophen-3-ylpropan-1-one
CID 105099902
(2-ethylpiperidin-1-yl)-(8-sulfanylquinolin-5-yl)methanone
CID 157384035
3-phenyl-1-pyrimidin-4-ylpropan-1-one
CID 63989966

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-(8-sulfanylquinolin-5-yl)propan-1-one?
The IUPAC name of 3-phenyl-1-(8-sulfanylquinolin-5-yl)propan-1-one (CID 157109723) is 3-phenyl-1-(8-sulfanylquinolin-5-yl)propan-1-one.
What is the SMILES notation for 3-phenyl-1-(8-sulfanylquinolin-5-yl)propan-1-one?
The canonical SMILES for 3-phenyl-1-(8-sulfanylquinolin-5-yl)propan-1-one is O=C(CCc1ccccc1)c1ccc(S)c2ncccc12.
What is the InChIKey of 3-phenyl-1-(8-sulfanylquinolin-5-yl)propan-1-one?
The InChIKey is AGSAAYNRUWCNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NOS/c20-16(10-8-13-5-2-1-3-6-13)14-9-11-17(21)18-15(14)7-4-12-19-18/h1-7,9,11-12,21H,8,10H2.
What are the key properties of 3-phenyl-1-(8-sulfanylquinolin-5-yl)propan-1-one?
3-phenyl-1-(8-sulfanylquinolin-5-yl)propan-1-one has a molecular weight of 293.39 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-(8-sulfanylquinolin-5-yl)propan-1-one is sourced from PubChem (CID 157109723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).