6-chloro-2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]quinoline

C18H16ClN5 — CID 118588324

IUPAC6-chloro-2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]quinoline
SMILESCc1ncc(C)n2nc(CCc3ccc4cc(Cl)ccc4n3)nc12
InChIInChI=1S/C18H16ClN5/c1-11-10-20-12(2)18-22-17(23-24(11)18)8-6-15-5-3-13-9-14(19)4-7-16(13)21-15/h3-5,7,9-10H,6,8H2,1-2H3
InChIKeyVHJYDBZUHADEJZ-UHFFFAOYSA-N
MW337.81 g/mol
LogP3.73
Rot. Bonds3

About 6-chloro-2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]quinoline

6-chloro-2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]quinoline (PubChem CID 118588324) has the molecular formula C18H16ClN5 and a molecular weight of 337.81 g/mol. Its IUPAC name is 6-chloro-2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]quinoline.

Molecular Properties

Compound Name6-chloro-2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]quinoline
PubChem CID118588324
Molecular FormulaC18H16ClN5
Molecular Weight337.81 g/mol
Exact Mass337.11
IUPAC Name6-chloro-2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]quinoline
SMILESCc1ncc(C)n2nc(CCc3ccc4cc(Cl)ccc4n3)nc12
InChIInChI=1S/C18H16ClN5/c1-11-10-20-12(2)18-22-17(23-24(11)18)8-6-15-5-3-13-9-14(19)4-7-16(13)21-15/h3-5,7,9-10H,6,8H2,1-2H3
InChIKeyVHJYDBZUHADEJZ-UHFFFAOYSA-N
XLogP3.73
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]quinoline?
The IUPAC name of 6-chloro-2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]quinoline (CID 118588324) is 6-chloro-2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]quinoline.
What is the SMILES notation for 6-chloro-2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]quinoline?
The canonical SMILES for 6-chloro-2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]quinoline is Cc1ncc(C)n2nc(CCc3ccc4cc(Cl)ccc4n3)nc12.
What is the InChIKey of 6-chloro-2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]quinoline?
The InChIKey is VHJYDBZUHADEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5/c1-11-10-20-12(2)18-22-17(23-24(11)18)8-6-15-5-3-13-9-14(19)4-7-16(13)21-15/h3-5,7,9-10H,6,8H2,1-2H3.
What are the key properties of 6-chloro-2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]quinoline?
6-chloro-2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]quinoline has a molecular weight of 337.81 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]quinoline is sourced from PubChem (CID 118588324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).