7-chloro-1-cyclohexyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline

C16H18ClN3 — CID 162663692

IUPAC7-chloro-1-cyclohexyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
SMILESClc1ccc2c(c1)CCc1nnc(C3CCCCC3)n1-2
InChIInChI=1S/C16H18ClN3/c17-13-7-8-14-12(10-13)6-9-15-18-19-16(20(14)15)11-4-2-1-3-5-11/h7-8,10-11H,1-6,9H2
InChIKeyZBWGQPCCQIOPHB-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.07
Rot. Bonds1

About 7-chloro-1-cyclohexyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline

7-chloro-1-cyclohexyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline (PubChem CID 162663692) has the molecular formula C16H18ClN3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 7-chloro-1-cyclohexyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline.

Molecular Properties

Compound Name7-chloro-1-cyclohexyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
PubChem CID162663692
Molecular FormulaC16H18ClN3
Molecular Weight287.79 g/mol
Exact Mass287.12
IUPAC Name7-chloro-1-cyclohexyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
SMILESClc1ccc2c(c1)CCc1nnc(C3CCCCC3)n1-2
InChIInChI=1S/C16H18ClN3/c17-13-7-8-14-12(10-13)6-9-15-18-19-16(20(14)15)11-4-2-1-3-5-11/h7-8,10-11H,1-6,9H2
InChIKeyZBWGQPCCQIOPHB-UHFFFAOYSA-N
XLogP4.07
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-cyclohexyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline?
The IUPAC name of 7-chloro-1-cyclohexyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline (CID 162663692) is 7-chloro-1-cyclohexyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline.
What is the SMILES notation for 7-chloro-1-cyclohexyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline?
The canonical SMILES for 7-chloro-1-cyclohexyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline is Clc1ccc2c(c1)CCc1nnc(C3CCCCC3)n1-2.
What is the InChIKey of 7-chloro-1-cyclohexyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline?
The InChIKey is ZBWGQPCCQIOPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3/c17-13-7-8-14-12(10-13)6-9-15-18-19-16(20(14)15)11-4-2-1-3-5-11/h7-8,10-11H,1-6,9H2.
What are the key properties of 7-chloro-1-cyclohexyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline?
7-chloro-1-cyclohexyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline has a molecular weight of 287.79 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-cyclohexyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline is sourced from PubChem (CID 162663692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).