1-[4-(quinolin-4-ylmethylsulfanyl)phenyl]ethanol

C18H17NOS — CID 79232543

IUPAC1-[4-(quinolin-4-ylmethylsulfanyl)phenyl]ethanol
SMILESCC(O)c1ccc(SCc2ccnc3ccccc23)cc1
InChIInChI=1S/C18H17NOS/c1-13(20)14-6-8-16(9-7-14)21-12-15-10-11-19-18-5-3-2-4-17(15)18/h2-11,13,20H,12H2,1H3
InChIKeyIKNGXSJJOPTTGF-UHFFFAOYSA-N
MW295.41 g/mol
LogP4.58
Rot. Bonds4

About 1-[4-(quinolin-4-ylmethylsulfanyl)phenyl]ethanol

1-[4-(quinolin-4-ylmethylsulfanyl)phenyl]ethanol (PubChem CID 79232543) has the molecular formula C18H17NOS and a molecular weight of 295.41 g/mol. Its IUPAC name is 1-[4-(quinolin-4-ylmethylsulfanyl)phenyl]ethanol.

Molecular Properties

Compound Name1-[4-(quinolin-4-ylmethylsulfanyl)phenyl]ethanol
PubChem CID79232543
Molecular FormulaC18H17NOS
Molecular Weight295.41 g/mol
Exact Mass295.10
IUPAC Name1-[4-(quinolin-4-ylmethylsulfanyl)phenyl]ethanol
SMILESCC(O)c1ccc(SCc2ccnc3ccccc23)cc1
InChIInChI=1S/C18H17NOS/c1-13(20)14-6-8-16(9-7-14)21-12-15-10-11-19-18-5-3-2-4-17(15)18/h2-11,13,20H,12H2,1H3
InChIKeyIKNGXSJJOPTTGF-UHFFFAOYSA-N
XLogP4.58
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(quinolin-4-ylmethylsulfanyl)phenol
CID 79240202
(1S)-1-(4-quinazolin-4-ylsulfanylphenyl)ethanol
CID 78951535
2-methyl-3-quinolin-4-ylsulfanylpropan-1-ol
CID 66105524
5-methyl-2-(quinolin-4-ylmethylsulfanyl)aniline
CID 79234908
6-quinolin-4-ylhexan-2-ol
CID 90935921
(1R)-1-[2-(quinolin-4-ylmethoxy)phenyl]ethanol
CID 79231192
1-[3-(naphthalen-1-ylmethylsulfanyl)phenyl]ethanol
CID 64664899
methyl 2-methyl-3-quinolin-4-ylsulfanylpropanoate
CID 66115356
3-bromo-4-(quinolin-4-ylmethylsulfanyl)aniline
CID 82840672
4-chloro-2-(quinolin-4-ylmethylsulfanyl)aniline
CID 79529000
(2S)-2-amino-3-(quinolin-4-ylmethylsulfanyl)propanoic acid
CID 107773149
1-(4-methylphenyl)-N-(quinolin-4-ylmethyl)ethanamine
CID 63850384

Frequently Asked Questions

What is the IUPAC name of 1-[4-(quinolin-4-ylmethylsulfanyl)phenyl]ethanol?
The IUPAC name of 1-[4-(quinolin-4-ylmethylsulfanyl)phenyl]ethanol (CID 79232543) is 1-[4-(quinolin-4-ylmethylsulfanyl)phenyl]ethanol.
What is the SMILES notation for 1-[4-(quinolin-4-ylmethylsulfanyl)phenyl]ethanol?
The canonical SMILES for 1-[4-(quinolin-4-ylmethylsulfanyl)phenyl]ethanol is CC(O)c1ccc(SCc2ccnc3ccccc23)cc1.
What is the InChIKey of 1-[4-(quinolin-4-ylmethylsulfanyl)phenyl]ethanol?
The InChIKey is IKNGXSJJOPTTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NOS/c1-13(20)14-6-8-16(9-7-14)21-12-15-10-11-19-18-5-3-2-4-17(15)18/h2-11,13,20H,12H2,1H3.
What are the key properties of 1-[4-(quinolin-4-ylmethylsulfanyl)phenyl]ethanol?
1-[4-(quinolin-4-ylmethylsulfanyl)phenyl]ethanol has a molecular weight of 295.41 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(quinolin-4-ylmethylsulfanyl)phenyl]ethanol is sourced from PubChem (CID 79232543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).