8-chloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoline

C15H16ClN5 — CID 53380276

IUPAC8-chloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoline
SMILESCN1CCN(c2cc3ccc(Cl)cc3n3cnnc23)CC1
InChIInChI=1S/C15H16ClN5/c1-19-4-6-20(7-5-19)14-8-11-2-3-12(16)9-13(11)21-10-17-18-15(14)21/h2-3,8-10H,4-7H2,1H3
InChIKeyOYXCRISDLOLHQM-UHFFFAOYSA-N
MW301.78 g/mol
LogP2.29
Rot. Bonds1

About 8-chloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoline

8-chloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoline (PubChem CID 53380276) has the molecular formula C15H16ClN5 and a molecular weight of 301.78 g/mol. Its IUPAC name is 8-chloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoline.

Molecular Properties

Compound Name8-chloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoline
PubChem CID53380276
Molecular FormulaC15H16ClN5
Molecular Weight301.78 g/mol
Exact Mass301.11
IUPAC Name8-chloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoline
SMILESCN1CCN(c2cc3ccc(Cl)cc3n3cnnc23)CC1
InChIInChI=1S/C15H16ClN5/c1-19-4-6-20(7-5-19)14-8-11-2-3-12(16)9-13(11)21-10-17-18-15(14)21/h2-3,8-10H,4-7H2,1H3
InChIKeyOYXCRISDLOLHQM-UHFFFAOYSA-N
XLogP2.29
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoline?
The IUPAC name of 8-chloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoline (CID 53380276) is 8-chloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoline.
What is the SMILES notation for 8-chloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoline?
The canonical SMILES for 8-chloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoline is CN1CCN(c2cc3ccc(Cl)cc3n3cnnc23)CC1.
What is the InChIKey of 8-chloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoline?
The InChIKey is OYXCRISDLOLHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5/c1-19-4-6-20(7-5-19)14-8-11-2-3-12(16)9-13(11)21-10-17-18-15(14)21/h2-3,8-10H,4-7H2,1H3.
What are the key properties of 8-chloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoline?
8-chloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoline has a molecular weight of 301.78 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoline is sourced from PubChem (CID 53380276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).