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

C14H12Cl2N4 — CID 116785571

IUPAC5-chloro-8-(3-chloro-5-propan-2-yl-1,2,4-triazol-4-yl)quinoline
SMILESCC(C)c1nnc(Cl)n1-c1ccc(Cl)c2cccnc12
InChIInChI=1S/C14H12Cl2N4/c1-8(2)13-18-19-14(16)20(13)11-6-5-10(15)9-4-3-7-17-12(9)11/h3-8H,1-2H3
InChIKeyNBRDEABEAUHRSZ-UHFFFAOYSA-N
MW307.18 g/mol
LogP4.25
Rot. Bonds2

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

5-chloro-8-(3-chloro-5-propan-2-yl-1,2,4-triazol-4-yl)quinoline (PubChem CID 116785571) has the molecular formula C14H12Cl2N4 and a molecular weight of 307.18 g/mol. Its IUPAC name is 5-chloro-8-(3-chloro-5-propan-2-yl-1,2,4-triazol-4-yl)quinoline.

Molecular Properties

Compound Name5-chloro-8-(3-chloro-5-propan-2-yl-1,2,4-triazol-4-yl)quinoline
PubChem CID116785571
Molecular FormulaC14H12Cl2N4
Molecular Weight307.18 g/mol
Exact Mass306.04
IUPAC Name5-chloro-8-(3-chloro-5-propan-2-yl-1,2,4-triazol-4-yl)quinoline
SMILESCC(C)c1nnc(Cl)n1-c1ccc(Cl)c2cccnc12
InChIInChI=1S/C14H12Cl2N4/c1-8(2)13-18-19-14(16)20(13)11-6-5-10(15)9-4-3-7-17-12(9)11/h3-8H,1-2H3
InChIKeyNBRDEABEAUHRSZ-UHFFFAOYSA-N
XLogP4.25
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-8-(3-chloro-1,2,4-triazol-4-yl)quinoline
CID 116785568
1-[1-(5-chloroquinolin-8-yl)triazol-4-yl]ethanol
CID 116785483
3-chloro-4-(2,6-dichlorophenyl)-5-propan-2-yl-1,2,4-triazole
CID 65499865
3-bromo-8-(3-chloro-5-propan-2-yl-1,2,4-triazol-4-yl)quinoline
CID 116785577
aluminum tris(5-chloroquinolin-8-olate)
CID 67131824
CID 172791001
CID 172791001
potassium;5-chloroquinolin-8-ol;hydride
CID 174478922
CID 6367063
CID 6367063
calcium;5-chloroquinolin-8-ol;hydride
CID 174353815
N-[[1-(5-chloroquinolin-8-yl)triazol-4-yl]methyl]ethanamine
CID 116785439
tris(5-chloroquinolin-8-yl)alumane
CID 151822878
(E)-4-(5-chloroquinolin-8-yl)-3-methylbut-3-en-2-ol
CID 103091147

Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-(3-chloro-5-propan-2-yl-1,2,4-triazol-4-yl)quinoline?
The IUPAC name of 5-chloro-8-(3-chloro-5-propan-2-yl-1,2,4-triazol-4-yl)quinoline (CID 116785571) is 5-chloro-8-(3-chloro-5-propan-2-yl-1,2,4-triazol-4-yl)quinoline.
What is the SMILES notation for 5-chloro-8-(3-chloro-5-propan-2-yl-1,2,4-triazol-4-yl)quinoline?
The canonical SMILES for 5-chloro-8-(3-chloro-5-propan-2-yl-1,2,4-triazol-4-yl)quinoline is CC(C)c1nnc(Cl)n1-c1ccc(Cl)c2cccnc12.
What is the InChIKey of 5-chloro-8-(3-chloro-5-propan-2-yl-1,2,4-triazol-4-yl)quinoline?
The InChIKey is NBRDEABEAUHRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N4/c1-8(2)13-18-19-14(16)20(13)11-6-5-10(15)9-4-3-7-17-12(9)11/h3-8H,1-2H3.
What are the key properties of 5-chloro-8-(3-chloro-5-propan-2-yl-1,2,4-triazol-4-yl)quinoline?
5-chloro-8-(3-chloro-5-propan-2-yl-1,2,4-triazol-4-yl)quinoline has a molecular weight of 307.18 g/mol, XLogP of 4.25, 2 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-5-propan-2-yl-1,2,4-triazol-4-yl)quinoline is sourced from PubChem (CID 116785571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).