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

C13H10BrClN4 — CID 116785576

IUPAC3-bromo-8-(3-chloro-5-ethyl-1,2,4-triazol-4-yl)quinoline
SMILESCCc1nnc(Cl)n1-c1cccc2cc(Br)cnc12
InChIInChI=1S/C13H10BrClN4/c1-2-11-17-18-13(15)19(11)10-5-3-4-8-6-9(14)7-16-12(8)10/h3-7H,2H2,1H3
InChIKeyHZJVRIIVIFCJLI-UHFFFAOYSA-N
MW337.61 g/mol
LogP3.79
Rot. Bonds2

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

3-bromo-8-(3-chloro-5-ethyl-1,2,4-triazol-4-yl)quinoline (PubChem CID 116785576) has the molecular formula C13H10BrClN4 and a molecular weight of 337.61 g/mol. Its IUPAC name is 3-bromo-8-(3-chloro-5-ethyl-1,2,4-triazol-4-yl)quinoline.

Molecular Properties

Compound Name3-bromo-8-(3-chloro-5-ethyl-1,2,4-triazol-4-yl)quinoline
PubChem CID116785576
Molecular FormulaC13H10BrClN4
Molecular Weight337.61 g/mol
Exact Mass335.98
IUPAC Name3-bromo-8-(3-chloro-5-ethyl-1,2,4-triazol-4-yl)quinoline
SMILESCCc1nnc(Cl)n1-c1cccc2cc(Br)cnc12
InChIInChI=1S/C13H10BrClN4/c1-2-11-17-18-13(15)19(11)10-5-3-4-8-6-9(14)7-16-12(8)10/h3-7H,2H2,1H3
InChIKeyHZJVRIIVIFCJLI-UHFFFAOYSA-N
XLogP3.79
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.61
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-8-(3-chloro-5-propan-2-yl-1,2,4-triazol-4-yl)quinoline
CID 116785577
4-(5-bromo-2-methylphenyl)-3-chloro-5-ethyl-1,2,4-triazole
CID 63385182
3-chloro-4-(2,3-dimethylphenyl)-5-ethyl-1,2,4-triazole
CID 63384946
3-bromo-8-chloroquinoline;tetramethylazanium
CID 67706558
3-bromo-8-[4-(bromomethyl)triazol-1-yl]quinoline
CID 116785501
4-(2-bromo-3-chlorophenyl)-3-chloro-5-propyl-1,2,4-triazole
CID 103481597
3-bromo-8-(2-ethyl-5-methylpiperazin-1-yl)quinoline
CID 116785676
2-[1-(3-bromoquinolin-8-yl)triazol-4-yl]ethanamine
CID 116785445
3-bromo-N-pentan-3-ylquinolin-8-amine
CID 116783436
1-(3-bromoquinolin-8-yl)imidazolidin-2-one
CID 116784875
3-(3-bromoquinolin-8-yl)imidazolidine-2,4-dione
CID 107841893
3-chloro-4-(4-chlorophenyl)-5-ethyl-1,2,4-triazole
CID 63384967

Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-(3-chloro-5-ethyl-1,2,4-triazol-4-yl)quinoline?
The IUPAC name of 3-bromo-8-(3-chloro-5-ethyl-1,2,4-triazol-4-yl)quinoline (CID 116785576) is 3-bromo-8-(3-chloro-5-ethyl-1,2,4-triazol-4-yl)quinoline.
What is the SMILES notation for 3-bromo-8-(3-chloro-5-ethyl-1,2,4-triazol-4-yl)quinoline?
The canonical SMILES for 3-bromo-8-(3-chloro-5-ethyl-1,2,4-triazol-4-yl)quinoline is CCc1nnc(Cl)n1-c1cccc2cc(Br)cnc12.
What is the InChIKey of 3-bromo-8-(3-chloro-5-ethyl-1,2,4-triazol-4-yl)quinoline?
The InChIKey is HZJVRIIVIFCJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN4/c1-2-11-17-18-13(15)19(11)10-5-3-4-8-6-9(14)7-16-12(8)10/h3-7H,2H2,1H3.
What are the key properties of 3-bromo-8-(3-chloro-5-ethyl-1,2,4-triazol-4-yl)quinoline?
3-bromo-8-(3-chloro-5-ethyl-1,2,4-triazol-4-yl)quinoline has a molecular weight of 337.61 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-(3-chloro-5-ethyl-1,2,4-triazol-4-yl)quinoline is sourced from PubChem (CID 116785576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).