5-(2-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoline

C17H12ClN3 — CID 21488614

IUPAC5-(2-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoline
SMILESCc1nnc2cc(-c3ccccc3Cl)c3ccccc3n12
InChIInChI=1S/C17H12ClN3/c1-11-19-20-17-10-14(12-6-2-4-8-15(12)18)13-7-3-5-9-16(13)21(11)17/h2-10H,1H3
InChIKeyLSCJIPARTIZMFC-UHFFFAOYSA-N
MW293.76 g/mol
LogP4.51
Rot. Bonds1

About 5-(2-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoline

5-(2-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoline (PubChem CID 21488614) has the molecular formula C17H12ClN3 and a molecular weight of 293.76 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoline.

Molecular Properties

Compound Name5-(2-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoline
PubChem CID21488614
Molecular FormulaC17H12ClN3
Molecular Weight293.76 g/mol
Exact Mass293.07
IUPAC Name5-(2-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoline
SMILESCc1nnc2cc(-c3ccccc3Cl)c3ccccc3n12
InChIInChI=1S/C17H12ClN3/c1-11-19-20-17-10-14(12-6-2-4-8-15(12)18)13-7-3-5-9-16(13)21(11)17/h2-10H,1H3
InChIKeyLSCJIPARTIZMFC-UHFFFAOYSA-N
XLogP4.51
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(2-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]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-(2-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoline?
The IUPAC name of 5-(2-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoline (CID 21488614) is 5-(2-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoline.
What is the SMILES notation for 5-(2-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoline?
The canonical SMILES for 5-(2-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoline is Cc1nnc2cc(-c3ccccc3Cl)c3ccccc3n12.
What is the InChIKey of 5-(2-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoline?
The InChIKey is LSCJIPARTIZMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3/c1-11-19-20-17-10-14(12-6-2-4-8-15(12)18)13-7-3-5-9-16(13)21(11)17/h2-10H,1H3.
What are the key properties of 5-(2-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoline?
5-(2-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoline has a molecular weight of 293.76 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoline is sourced from PubChem (CID 21488614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).