5-chloro-8-(3-chloro-1,2,4-triazol-4-yl)quinoline

C11H6Cl2N4 — CID 116785568

IUPAC5-chloro-8-(3-chloro-1,2,4-triazol-4-yl)quinoline
SMILESClc1ccc(-n2cnnc2Cl)c2ncccc12
InChIInChI=1S/C11H6Cl2N4/c12-8-3-4-9(17-6-15-16-11(17)13)10-7(8)2-1-5-14-10/h1-6H
InChIKeyXKTIQRVBJVPQFX-UHFFFAOYSA-N
MW265.10 g/mol
LogP3.12
Rot. Bonds1

About 5-chloro-8-(3-chloro-1,2,4-triazol-4-yl)quinoline

5-chloro-8-(3-chloro-1,2,4-triazol-4-yl)quinoline (PubChem CID 116785568) has the molecular formula C11H6Cl2N4 and a molecular weight of 265.10 g/mol. Its IUPAC name is 5-chloro-8-(3-chloro-1,2,4-triazol-4-yl)quinoline.

Molecular Properties

Compound Name5-chloro-8-(3-chloro-1,2,4-triazol-4-yl)quinoline
PubChem CID116785568
Molecular FormulaC11H6Cl2N4
Molecular Weight265.10 g/mol
Exact Mass264.00
IUPAC Name5-chloro-8-(3-chloro-1,2,4-triazol-4-yl)quinoline
SMILESClc1ccc(-n2cnnc2Cl)c2ncccc12
InChIInChI=1S/C11H6Cl2N4/c12-8-3-4-9(17-6-15-16-11(17)13)10-7(8)2-1-5-14-10/h1-6H
InChIKeyXKTIQRVBJVPQFX-UHFFFAOYSA-N
XLogP3.12
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.10
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

aluminum tris(5-chloroquinolin-8-olate)
CID 67131824
5-chloro-8-(3-chloro-5-propan-2-yl-1,2,4-triazol-4-yl)quinoline
CID 116785571
CID 172791001
CID 172791001
CID 6367063
CID 6367063
calcium;5-chloroquinolin-8-ol;hydride
CID 174353815
potassium;5-chloroquinolin-8-ol;hydride
CID 174478922
2-[1-(5-chloroquinolin-8-yl)imidazol-2-yl]sulfanylacetic acid
CID 116785050
1-[1-(5-chloroquinolin-8-yl)triazol-4-yl]ethanol
CID 116785483
3-amino-1-(5-chloroquinolin-8-yl)piperidin-2-one
CID 116785599
tris(5-chloroquinolin-8-yl)alumane
CID 151822878
5-chloro-8-(4-pyridin-3-ylpyrazol-1-yl)quinoline
CID 177329473
N-[[1-(5-chloroquinolin-8-yl)triazol-4-yl]methyl]ethanamine
CID 116785439

Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-(3-chloro-1,2,4-triazol-4-yl)quinoline?
The IUPAC name of 5-chloro-8-(3-chloro-1,2,4-triazol-4-yl)quinoline (CID 116785568) is 5-chloro-8-(3-chloro-1,2,4-triazol-4-yl)quinoline.
What is the SMILES notation for 5-chloro-8-(3-chloro-1,2,4-triazol-4-yl)quinoline?
The canonical SMILES for 5-chloro-8-(3-chloro-1,2,4-triazol-4-yl)quinoline is Clc1ccc(-n2cnnc2Cl)c2ncccc12.
What is the InChIKey of 5-chloro-8-(3-chloro-1,2,4-triazol-4-yl)quinoline?
The InChIKey is XKTIQRVBJVPQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2N4/c12-8-3-4-9(17-6-15-16-11(17)13)10-7(8)2-1-5-14-10/h1-6H.
What are the key properties of 5-chloro-8-(3-chloro-1,2,4-triazol-4-yl)quinoline?
5-chloro-8-(3-chloro-1,2,4-triazol-4-yl)quinoline has a molecular weight of 265.10 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-(3-chloro-1,2,4-triazol-4-yl)quinoline is sourced from PubChem (CID 116785568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).