3-(5-bromoquinolin-8-yl)-5-chloro-1,2,4-oxadiazole

C11H5BrClN3O — CID 112618266

IUPAC3-(5-bromoquinolin-8-yl)-5-chloro-1,2,4-oxadiazole
SMILESClc1nc(-c2ccc(Br)c3cccnc23)no1
InChIInChI=1S/C11H5BrClN3O/c12-8-4-3-7(10-15-11(13)17-16-10)9-6(8)2-1-5-14-9/h1-5H
InChIKeySQYSXDIEEUMXDY-UHFFFAOYSA-N
MW310.54 g/mol
LogP3.70
Rot. Bonds1

About 3-(5-bromoquinolin-8-yl)-5-chloro-1,2,4-oxadiazole

3-(5-bromoquinolin-8-yl)-5-chloro-1,2,4-oxadiazole (PubChem CID 112618266) has the molecular formula C11H5BrClN3O and a molecular weight of 310.54 g/mol. Its IUPAC name is 3-(5-bromoquinolin-8-yl)-5-chloro-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-bromoquinolin-8-yl)-5-chloro-1,2,4-oxadiazole
PubChem CID112618266
Molecular FormulaC11H5BrClN3O
Molecular Weight310.54 g/mol
Exact Mass308.93
IUPAC Name3-(5-bromoquinolin-8-yl)-5-chloro-1,2,4-oxadiazole
SMILESClc1nc(-c2ccc(Br)c3cccnc23)no1
InChIInChI=1S/C11H5BrClN3O/c12-8-4-3-7(10-15-11(13)17-16-10)9-6(8)2-1-5-14-9/h1-5H
InChIKeySQYSXDIEEUMXDY-UHFFFAOYSA-N
XLogP3.70
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.54
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-8-(4,6-dichloro-5-methylpyrimidin-2-yl)quinoline
CID 115959843
5-bromo-8-(4-chloro-6-ethyl-5-methylpyrimidin-2-yl)quinoline
CID 115959841
5-[3-(5-bromoquinolin-8-yl)-1,2,4-oxadiazol-5-yl]-2-phenyl-1H-pyrimidin-6-one
CID 171674589
4-(5-bromoquinolin-8-yl)-1,3-thiazol-5-amine
CID 112618374
2-(5-bromoquinolin-8-yl)-N-methylpyrimidin-4-amine
CID 112618401
1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-4-yl]ethanone
CID 112618305
8-(5-bromo-4-chloropyrimidin-2-yl)-5-chloroquinoline
CID 112618090
1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 112618320
5-bromo-2-(5-bromoquinolin-8-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 115959811
5-bromoquinolin-8-ol;nickel
CID 175092761
2-(4-bromonaphthalen-1-yl)-1,10-phenanthroline
CID 118861987
3-(1-benzothiophen-3-yl)-5-chloro-1,2,4-oxadiazole
CID 62698853

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromoquinolin-8-yl)-5-chloro-1,2,4-oxadiazole?
The IUPAC name of 3-(5-bromoquinolin-8-yl)-5-chloro-1,2,4-oxadiazole (CID 112618266) is 3-(5-bromoquinolin-8-yl)-5-chloro-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-bromoquinolin-8-yl)-5-chloro-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-bromoquinolin-8-yl)-5-chloro-1,2,4-oxadiazole is Clc1nc(-c2ccc(Br)c3cccnc23)no1.
What is the InChIKey of 3-(5-bromoquinolin-8-yl)-5-chloro-1,2,4-oxadiazole?
The InChIKey is SQYSXDIEEUMXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrClN3O/c12-8-4-3-7(10-15-11(13)17-16-10)9-6(8)2-1-5-14-9/h1-5H.
What are the key properties of 3-(5-bromoquinolin-8-yl)-5-chloro-1,2,4-oxadiazole?
3-(5-bromoquinolin-8-yl)-5-chloro-1,2,4-oxadiazole has a molecular weight of 310.54 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromoquinolin-8-yl)-5-chloro-1,2,4-oxadiazole is sourced from PubChem (CID 112618266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).