2-(quinolin-4-ylmethylsulfanyl)phenol

C16H13NOS — CID 79240202

IUPAC2-(quinolin-4-ylmethylsulfanyl)phenol
SMILESOc1ccccc1SCc1ccnc2ccccc12
InChIInChI=1S/C16H13NOS/c18-15-7-3-4-8-16(15)19-11-12-9-10-17-14-6-2-1-5-13(12)14/h1-10,18H,11H2
InChIKeyNEDGXUBATLRAKV-UHFFFAOYSA-N
MW267.35 g/mol
LogP4.23
Rot. Bonds3

About 2-(quinolin-4-ylmethylsulfanyl)phenol

2-(quinolin-4-ylmethylsulfanyl)phenol (PubChem CID 79240202) has the molecular formula C16H13NOS and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-(quinolin-4-ylmethylsulfanyl)phenol.

Molecular Properties

Compound Name2-(quinolin-4-ylmethylsulfanyl)phenol
PubChem CID79240202
Molecular FormulaC16H13NOS
Molecular Weight267.35 g/mol
Exact Mass267.07
IUPAC Name2-(quinolin-4-ylmethylsulfanyl)phenol
SMILESOc1ccccc1SCc1ccnc2ccccc12
InChIInChI=1S/C16H13NOS/c18-15-7-3-4-8-16(15)19-11-12-9-10-17-14-6-2-1-5-13(12)14/h1-10,18H,11H2
InChIKeyNEDGXUBATLRAKV-UHFFFAOYSA-N
XLogP4.23
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-(quinolin-4-ylmethylsulfanyl)aniline
CID 79234908
1-[4-(quinolin-4-ylmethylsulfanyl)phenyl]ethanol
CID 79232543
3-bromo-4-(quinolin-4-ylmethylsulfanyl)aniline
CID 82840672
4-chloro-2-(quinolin-4-ylmethylsulfanyl)aniline
CID 79529000
2-[(2-hydrazinyl-3-pyridinyl)methylsulfanyl]phenol
CID 62466321
(2S)-2-amino-3-(quinolin-4-ylmethylsulfanyl)propanoic acid
CID 107773149
quinolin-4-ylmethyl N'-aminocarbamimidothioate
CID 79240810
4-(quinolin-4-ylmethyl)phenol
CID 83128983
3-(quinolin-4-ylmethylsulfanyl)propanoic acid
CID 79235628
2-quinazolin-4-ylsulfanylphenol
CID 62026320
N-(4-hydroxyphenyl)-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide
CID 11846554
2-amino-4-(quinolin-4-ylmethylsulfanyl)butanoic acid
CID 79235793

Frequently Asked Questions

What is the IUPAC name of 2-(quinolin-4-ylmethylsulfanyl)phenol?
The IUPAC name of 2-(quinolin-4-ylmethylsulfanyl)phenol (CID 79240202) is 2-(quinolin-4-ylmethylsulfanyl)phenol.
What is the SMILES notation for 2-(quinolin-4-ylmethylsulfanyl)phenol?
The canonical SMILES for 2-(quinolin-4-ylmethylsulfanyl)phenol is Oc1ccccc1SCc1ccnc2ccccc12.
What is the InChIKey of 2-(quinolin-4-ylmethylsulfanyl)phenol?
The InChIKey is NEDGXUBATLRAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NOS/c18-15-7-3-4-8-16(15)19-11-12-9-10-17-14-6-2-1-5-13(12)14/h1-10,18H,11H2.
What are the key properties of 2-(quinolin-4-ylmethylsulfanyl)phenol?
2-(quinolin-4-ylmethylsulfanyl)phenol has a molecular weight of 267.35 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(quinolin-4-ylmethylsulfanyl)phenol is sourced from PubChem (CID 79240202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).