5-chloro-2-[2-(thiadiazol-4-yl)ethenyl]quinolin-6-ol

C13H8ClN3OS — CID 91941815

IUPAC5-chloro-2-[2-(thiadiazol-4-yl)ethenyl]quinolin-6-ol
SMILESOc1ccc2nc(C=Cc3csnn3)ccc2c1Cl
InChIInChI=1S/C13H8ClN3OS/c14-13-10-4-3-8(1-2-9-7-19-17-16-9)15-11(10)5-6-12(13)18/h1-7,18H
InChIKeyHFQPVFPZPBXCIZ-UHFFFAOYSA-N
MW289.75 g/mol
LogP3.62
Rot. Bonds2

About 5-chloro-2-[2-(thiadiazol-4-yl)ethenyl]quinolin-6-ol

5-chloro-2-[2-(thiadiazol-4-yl)ethenyl]quinolin-6-ol (PubChem CID 91941815) has the molecular formula C13H8ClN3OS and a molecular weight of 289.75 g/mol. Its IUPAC name is 5-chloro-2-[2-(thiadiazol-4-yl)ethenyl]quinolin-6-ol.

Molecular Properties

Compound Name5-chloro-2-[2-(thiadiazol-4-yl)ethenyl]quinolin-6-ol
PubChem CID91941815
Molecular FormulaC13H8ClN3OS
Molecular Weight289.75 g/mol
Exact Mass289.01
IUPAC Name5-chloro-2-[2-(thiadiazol-4-yl)ethenyl]quinolin-6-ol
SMILESOc1ccc2nc(C=Cc3csnn3)ccc2c1Cl
InChIInChI=1S/C13H8ClN3OS/c14-13-10-4-3-8(1-2-9-7-19-17-16-9)15-11(10)5-6-12(13)18/h1-7,18H
InChIKeyHFQPVFPZPBXCIZ-UHFFFAOYSA-N
XLogP3.62
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.75
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-(thiadiazol-4-yl)ethenyl]quinolin-6-ol?
The IUPAC name of 5-chloro-2-[2-(thiadiazol-4-yl)ethenyl]quinolin-6-ol (CID 91941815) is 5-chloro-2-[2-(thiadiazol-4-yl)ethenyl]quinolin-6-ol.
What is the SMILES notation for 5-chloro-2-[2-(thiadiazol-4-yl)ethenyl]quinolin-6-ol?
The canonical SMILES for 5-chloro-2-[2-(thiadiazol-4-yl)ethenyl]quinolin-6-ol is Oc1ccc2nc(C=Cc3csnn3)ccc2c1Cl.
What is the InChIKey of 5-chloro-2-[2-(thiadiazol-4-yl)ethenyl]quinolin-6-ol?
The InChIKey is HFQPVFPZPBXCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3OS/c14-13-10-4-3-8(1-2-9-7-19-17-16-9)15-11(10)5-6-12(13)18/h1-7,18H.
What are the key properties of 5-chloro-2-[2-(thiadiazol-4-yl)ethenyl]quinolin-6-ol?
5-chloro-2-[2-(thiadiazol-4-yl)ethenyl]quinolin-6-ol has a molecular weight of 289.75 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-(thiadiazol-4-yl)ethenyl]quinolin-6-ol is sourced from PubChem (CID 91941815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).