5-chloro-7-(3-sulfanylprop-1-enyl)quinolin-8-ol

C12H10ClNOS — CID 169456288

IUPAC5-chloro-7-(3-sulfanylprop-1-enyl)quinolin-8-ol
SMILESOc1c(C=CCS)cc(Cl)c2cccnc12
InChIInChI=1S/C12H10ClNOS/c13-10-7-8(3-2-6-16)12(15)11-9(10)4-1-5-14-11/h1-5,7,15-16H,6H2
InChIKeyASDCQIXKWGTBPW-UHFFFAOYSA-N
MW251.74 g/mol
LogP3.54
Rot. Bonds2

About 5-chloro-7-(3-sulfanylprop-1-enyl)quinolin-8-ol

5-chloro-7-(3-sulfanylprop-1-enyl)quinolin-8-ol (PubChem CID 169456288) has the molecular formula C12H10ClNOS and a molecular weight of 251.74 g/mol. Its IUPAC name is 5-chloro-7-(3-sulfanylprop-1-enyl)quinolin-8-ol.

Molecular Properties

Compound Name5-chloro-7-(3-sulfanylprop-1-enyl)quinolin-8-ol
PubChem CID169456288
Molecular FormulaC12H10ClNOS
Molecular Weight251.74 g/mol
Exact Mass251.02
IUPAC Name5-chloro-7-(3-sulfanylprop-1-enyl)quinolin-8-ol
SMILESOc1c(C=CCS)cc(Cl)c2cccnc12
InChIInChI=1S/C12H10ClNOS/c13-10-7-8(3-2-6-16)12(15)11-9(10)4-1-5-14-11/h1-5,7,15-16H,6H2
InChIKeyASDCQIXKWGTBPW-UHFFFAOYSA-N
XLogP3.54
TPSA33.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.74
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(5-chloro-8-hydroxyquinolin-7-yl)but-3-enal
CID 170482968
3-(5-chloro-8-hydroxyquinolin-7-yl)prop-2-enenitrile
CID 169484431
5,7-dichloroquinolin-8-ol;nickel
CID 175096460
bis(5-chloro-7-iodoquinolin-8-ol);indium-111(3+)
CID 25009411
bis(5-chloro-7-iodoquinolin-8-ol);gallium-67(3+)
CID 25009413
5-chloro-7-[3-sulfanyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]quinolin-8-ol
CID 170804072
5-chloro-7-(chloromethyl)quinolin-8-ol
CID 4702114
7-chloro-8-hydroxyquinoline-5-carbaldehyde
CID 102399147
zinc 5-chloro-7-(18F)fluoroquinolin-8-ol
CID 10378005
5-chloro-7-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]quinolin-8-ol
CID 137271278
bis(5-chloro-7-iodoquinolin-8-ol);propane;zirconium
CID 174375866
5-chloro-8-hydroxyquinoline-7-carboxylic acid
CID 14534767

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-(3-sulfanylprop-1-enyl)quinolin-8-ol?
The IUPAC name of 5-chloro-7-(3-sulfanylprop-1-enyl)quinolin-8-ol (CID 169456288) is 5-chloro-7-(3-sulfanylprop-1-enyl)quinolin-8-ol.
What is the SMILES notation for 5-chloro-7-(3-sulfanylprop-1-enyl)quinolin-8-ol?
The canonical SMILES for 5-chloro-7-(3-sulfanylprop-1-enyl)quinolin-8-ol is Oc1c(C=CCS)cc(Cl)c2cccnc12.
What is the InChIKey of 5-chloro-7-(3-sulfanylprop-1-enyl)quinolin-8-ol?
The InChIKey is ASDCQIXKWGTBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNOS/c13-10-7-8(3-2-6-16)12(15)11-9(10)4-1-5-14-11/h1-5,7,15-16H,6H2.
What are the key properties of 5-chloro-7-(3-sulfanylprop-1-enyl)quinolin-8-ol?
5-chloro-7-(3-sulfanylprop-1-enyl)quinolin-8-ol has a molecular weight of 251.74 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-(3-sulfanylprop-1-enyl)quinolin-8-ol is sourced from PubChem (CID 169456288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).