7-chloro-1-(4-pyridin-2-yloxycyclohexyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline

C21H21ClN4O — CID 162664620

IUPAC7-chloro-1-(4-pyridin-2-yloxycyclohexyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
SMILESClc1ccc2c(c1)CCc1nnc(C3CCC(Oc4ccccn4)CC3)n1-2
InChIInChI=1S/C21H21ClN4O/c22-16-7-10-18-15(13-16)6-11-19-24-25-21(26(18)19)14-4-8-17(9-5-14)27-20-3-1-2-12-23-20/h1-3,7,10,12-14,17H,4-6,8-9,11H2
InChIKeyGWAFJPWGEIHPIE-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.52
Rot. Bonds3

About 7-chloro-1-(4-pyridin-2-yloxycyclohexyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline

7-chloro-1-(4-pyridin-2-yloxycyclohexyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline (PubChem CID 162664620) has the molecular formula C21H21ClN4O and a molecular weight of 380.88 g/mol. Its IUPAC name is 7-chloro-1-(4-pyridin-2-yloxycyclohexyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline.

Molecular Properties

Compound Name7-chloro-1-(4-pyridin-2-yloxycyclohexyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
PubChem CID162664620
Molecular FormulaC21H21ClN4O
Molecular Weight380.88 g/mol
Exact Mass380.14
IUPAC Name7-chloro-1-(4-pyridin-2-yloxycyclohexyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
SMILESClc1ccc2c(c1)CCc1nnc(C3CCC(Oc4ccccn4)CC3)n1-2
InChIInChI=1S/C21H21ClN4O/c22-16-7-10-18-15(13-16)6-11-19-24-25-21(26(18)19)14-4-8-17(9-5-14)27-20-3-1-2-12-23-20/h1-3,7,10,12-14,17H,4-6,8-9,11H2
InChIKeyGWAFJPWGEIHPIE-UHFFFAOYSA-N
XLogP4.52
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(4-pyridin-2-yloxycyclohexyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline?
The IUPAC name of 7-chloro-1-(4-pyridin-2-yloxycyclohexyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline (CID 162664620) is 7-chloro-1-(4-pyridin-2-yloxycyclohexyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline.
What is the SMILES notation for 7-chloro-1-(4-pyridin-2-yloxycyclohexyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline?
The canonical SMILES for 7-chloro-1-(4-pyridin-2-yloxycyclohexyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline is Clc1ccc2c(c1)CCc1nnc(C3CCC(Oc4ccccn4)CC3)n1-2.
What is the InChIKey of 7-chloro-1-(4-pyridin-2-yloxycyclohexyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline?
The InChIKey is GWAFJPWGEIHPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O/c22-16-7-10-18-15(13-16)6-11-19-24-25-21(26(18)19)14-4-8-17(9-5-14)27-20-3-1-2-12-23-20/h1-3,7,10,12-14,17H,4-6,8-9,11H2.
What are the key properties of 7-chloro-1-(4-pyridin-2-yloxycyclohexyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline?
7-chloro-1-(4-pyridin-2-yloxycyclohexyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline has a molecular weight of 380.88 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(4-pyridin-2-yloxycyclohexyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline is sourced from PubChem (CID 162664620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).