1-[3-(quinolin-8-ylmethylsulfanyl)phenyl]ethanone

C18H15NOS — CID 64661704

IUPAC1-[3-(quinolin-8-ylmethylsulfanyl)phenyl]ethanone
SMILESCC(=O)c1cccc(SCc2cccc3cccnc23)c1
InChIInChI=1S/C18H15NOS/c1-13(20)15-6-3-9-17(11-15)21-12-16-7-2-5-14-8-4-10-19-18(14)16/h2-11H,12H2,1H3
InChIKeyDUEHRMRRJGVSTF-UHFFFAOYSA-N
MW293.39 g/mol
LogP4.73
Rot. Bonds4

About 1-[3-(quinolin-8-ylmethylsulfanyl)phenyl]ethanone

1-[3-(quinolin-8-ylmethylsulfanyl)phenyl]ethanone (PubChem CID 64661704) has the molecular formula C18H15NOS and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-[3-(quinolin-8-ylmethylsulfanyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(quinolin-8-ylmethylsulfanyl)phenyl]ethanone
PubChem CID64661704
Molecular FormulaC18H15NOS
Molecular Weight293.39 g/mol
Exact Mass293.09
IUPAC Name1-[3-(quinolin-8-ylmethylsulfanyl)phenyl]ethanone
SMILESCC(=O)c1cccc(SCc2cccc3cccnc23)c1
InChIInChI=1S/C18H15NOS/c1-13(20)15-6-3-9-17(11-15)21-12-16-7-2-5-14-8-4-10-19-18(14)16/h2-11H,12H2,1H3
InChIKeyDUEHRMRRJGVSTF-UHFFFAOYSA-N
XLogP4.73
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 ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(2,6-difluorophenyl)methylsulfanyl]phenyl]ethanone
CID 114934300
8-(2-methylprop-2-enyl)quinoline
CID 142452195
1-phenyl-2-quinolin-8-ylethanone
CID 171934139
1-[3-(2-quinolin-8-yloxyethoxy)phenyl]ethanone
CID 2993304
1-(3-but-2-ynylsulfanylphenyl)ethanone
CID 64661103
1-(3-butylsulfanylphenyl)ethanone
CID 64663308
N-(3-acetylphenyl)-2-quinolin-8-yloxyacetamide
CID 2595236
1-(3-fluoro-4-quinolin-8-yloxyphenyl)ethanone
CID 28825225
1-(4-fluoro-3-quinolin-8-ylphenyl)ethanone
CID 82540926
quinolin-8-ylmethyl 3-hydroxybenzoate
CID 17392700
acetic acid;palladium;bis(1,10-phenanthroline)
CID 11261760
1-[3-(3-fluoropropylsulfanyl)phenyl]ethanone
CID 81114648

Frequently Asked Questions

What is the IUPAC name of 1-[3-(quinolin-8-ylmethylsulfanyl)phenyl]ethanone?
The IUPAC name of 1-[3-(quinolin-8-ylmethylsulfanyl)phenyl]ethanone (CID 64661704) is 1-[3-(quinolin-8-ylmethylsulfanyl)phenyl]ethanone.
What is the SMILES notation for 1-[3-(quinolin-8-ylmethylsulfanyl)phenyl]ethanone?
The canonical SMILES for 1-[3-(quinolin-8-ylmethylsulfanyl)phenyl]ethanone is CC(=O)c1cccc(SCc2cccc3cccnc23)c1.
What is the InChIKey of 1-[3-(quinolin-8-ylmethylsulfanyl)phenyl]ethanone?
The InChIKey is DUEHRMRRJGVSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NOS/c1-13(20)15-6-3-9-17(11-15)21-12-16-7-2-5-14-8-4-10-19-18(14)16/h2-11H,12H2,1H3.
What are the key properties of 1-[3-(quinolin-8-ylmethylsulfanyl)phenyl]ethanone?
1-[3-(quinolin-8-ylmethylsulfanyl)phenyl]ethanone has a molecular weight of 293.39 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(quinolin-8-ylmethylsulfanyl)phenyl]ethanone is sourced from PubChem (CID 64661704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).