5,7-dichloro-2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]quinoline

C18H13Cl2N5 — CID 154073754

IUPAC5,7-dichloro-2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]quinoline
SMILESCc1ncc(C)n2nc(C=Cc3ccc4c(Cl)cc(Cl)cc4n3)nc12
InChIInChI=1S/C18H13Cl2N5/c1-10-9-21-11(2)18-23-17(24-25(10)18)6-4-13-3-5-14-15(20)7-12(19)8-16(14)22-13/h3-9H,1-2H3
InChIKeyVIAWDYINWPECLM-UHFFFAOYSA-N
MW370.24 g/mol
LogP4.77
Rot. Bonds2

About 5,7-dichloro-2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]quinoline

5,7-dichloro-2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]quinoline (PubChem CID 154073754) has the molecular formula C18H13Cl2N5 and a molecular weight of 370.24 g/mol. Its IUPAC name is 5,7-dichloro-2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]quinoline.

Molecular Properties

Compound Name5,7-dichloro-2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]quinoline
PubChem CID154073754
Molecular FormulaC18H13Cl2N5
Molecular Weight370.24 g/mol
Exact Mass369.05
IUPAC Name5,7-dichloro-2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]quinoline
SMILESCc1ncc(C)n2nc(C=Cc3ccc4c(Cl)cc(Cl)cc4n3)nc12
InChIInChI=1S/C18H13Cl2N5/c1-10-9-21-11(2)18-23-17(24-25(10)18)6-4-13-3-5-14-15(20)7-12(19)8-16(14)22-13/h3-9H,1-2H3
InChIKeyVIAWDYINWPECLM-UHFFFAOYSA-N
XLogP4.77
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.24
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5,7-dichloro-2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]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 5,7-dichloro-2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]quinoline?
The IUPAC name of 5,7-dichloro-2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]quinoline (CID 154073754) is 5,7-dichloro-2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]quinoline.
What is the SMILES notation for 5,7-dichloro-2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]quinoline?
The canonical SMILES for 5,7-dichloro-2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]quinoline is Cc1ncc(C)n2nc(C=Cc3ccc4c(Cl)cc(Cl)cc4n3)nc12.
What is the InChIKey of 5,7-dichloro-2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]quinoline?
The InChIKey is VIAWDYINWPECLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N5/c1-10-9-21-11(2)18-23-17(24-25(10)18)6-4-13-3-5-14-15(20)7-12(19)8-16(14)22-13/h3-9H,1-2H3.
What are the key properties of 5,7-dichloro-2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]quinoline?
5,7-dichloro-2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]quinoline has a molecular weight of 370.24 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]quinoline is sourced from PubChem (CID 154073754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).