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

C17H12ClN3 — CID 2027650

IUPAC1-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[4,3-a]quinoline
SMILESCc1cc2nnc(-c3ccc(Cl)cc3)n2c2ccccc12
InChIInChI=1S/C17H12ClN3/c1-11-10-16-19-20-17(12-6-8-13(18)9-7-12)21(16)15-5-3-2-4-14(11)15/h2-10H,1H3
InChIKeyBQTRBGJBUQHVPO-UHFFFAOYSA-N
MW293.76 g/mol
LogP4.51
Rot. Bonds1

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

1-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[4,3-a]quinoline (PubChem CID 2027650) has the molecular formula C17H12ClN3 and a molecular weight of 293.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[4,3-a]quinoline.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[4,3-a]quinoline
PubChem CID2027650
Molecular FormulaC17H12ClN3
Molecular Weight293.76 g/mol
Exact Mass293.07
IUPAC Name1-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[4,3-a]quinoline
SMILESCc1cc2nnc(-c3ccc(Cl)cc3)n2c2ccccc12
InChIInChI=1S/C17H12ClN3/c1-11-10-16-19-20-17(12-6-8-13(18)9-7-12)21(16)15-5-3-2-4-14(11)15/h2-10H,1H3
InChIKeyBQTRBGJBUQHVPO-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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[4,3-a]quinoline?
The IUPAC name of 1-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[4,3-a]quinoline (CID 2027650) is 1-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[4,3-a]quinoline.
What is the SMILES notation for 1-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[4,3-a]quinoline?
The canonical SMILES for 1-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[4,3-a]quinoline is Cc1cc2nnc(-c3ccc(Cl)cc3)n2c2ccccc12.
What is the InChIKey of 1-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[4,3-a]quinoline?
The InChIKey is BQTRBGJBUQHVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3/c1-11-10-16-19-20-17(12-6-8-13(18)9-7-12)21(16)15-5-3-2-4-14(11)15/h2-10H,1H3.
What are the key properties of 1-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[4,3-a]quinoline?
1-(4-chlorophenyl)-5-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 1-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[4,3-a]quinoline is sourced from PubChem (CID 2027650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).