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

C20H20ClN5 — CID 162660975

IUPAC7-chloro-1-(1-pyridin-2-ylpiperidin-4-yl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
SMILESClc1ccc2c(c1)CCc1nnc(C3CCN(c4ccccn4)CC3)n1-2
InChIInChI=1S/C20H20ClN5/c21-16-5-6-17-15(13-16)4-7-19-23-24-20(26(17)19)14-8-11-25(12-9-14)18-3-1-2-10-22-18/h1-3,5-6,10,13-14H,4,7-9,11-12H2
InChIKeyUEESSQLTYXCSHX-UHFFFAOYSA-N
MW365.87 g/mol
LogP3.80
Rot. Bonds2

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

7-chloro-1-(1-pyridin-2-ylpiperidin-4-yl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline (PubChem CID 162660975) has the molecular formula C20H20ClN5 and a molecular weight of 365.87 g/mol. Its IUPAC name is 7-chloro-1-(1-pyridin-2-ylpiperidin-4-yl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline.

Molecular Properties

Compound Name7-chloro-1-(1-pyridin-2-ylpiperidin-4-yl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
PubChem CID162660975
Molecular FormulaC20H20ClN5
Molecular Weight365.87 g/mol
Exact Mass365.14
IUPAC Name7-chloro-1-(1-pyridin-2-ylpiperidin-4-yl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
SMILESClc1ccc2c(c1)CCc1nnc(C3CCN(c4ccccn4)CC3)n1-2
InChIInChI=1S/C20H20ClN5/c21-16-5-6-17-15(13-16)4-7-19-23-24-20(26(17)19)14-8-11-25(12-9-14)18-3-1-2-10-22-18/h1-3,5-6,10,13-14H,4,7-9,11-12H2
InChIKeyUEESSQLTYXCSHX-UHFFFAOYSA-N
XLogP3.80
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.87
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-chloro-1-(1-pyridin-2-ylpiperidin-4-yl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline with MolForge

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Related Compounds

PF-184563
CID 11237434
2-(7-chloro-5-phenyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)-N,N-dimethylethan-1-amine
CID 12612431
8-Chloro-1-(3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-4-yl)-4H,6H-2,3,5,10b-tetraaza-benzo[e]azulene-5-sulphonic acid dimethylamide
CID 9935206
US9056863, Example Ia2
CID 71295288
1-(4-Chlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidine
CID 3578502
1-[8-Chloro-1-(1-pyridin-2-ylpiperidin-4-yl)-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-5-yl]ethanone
CID 10345610
8-Chloro-5-methanesulfonyl-1-(3,4,5,6-tetrahydro-2h-[1,2']bipyridinyl-4-yl)-5,6-dihydro-4h-2,3,5,10b-tetraaza-benzo[e]azulene
CID 10456892
2-[4-[4-[(3-Chlorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 10474163
8-Chloro-1-(3,4,5,6-tetrahydro-2h-[1,2']bipyridinyl-4-yl)-5,6-dihydro4h-2,3,5,10b-tetraaza-benzo[e]azulene
CID 11326488
2-[4-[4-(4-Chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 11451056
2-[4-[5-Methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 11473073
5-Methyl-1-(1-pyridin-2-ylpiperidin-4-yl)-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
CID 21925586

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(1-pyridin-2-ylpiperidin-4-yl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline?
The IUPAC name of 7-chloro-1-(1-pyridin-2-ylpiperidin-4-yl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline (CID 162660975) is 7-chloro-1-(1-pyridin-2-ylpiperidin-4-yl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline.
What is the SMILES notation for 7-chloro-1-(1-pyridin-2-ylpiperidin-4-yl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline?
The canonical SMILES for 7-chloro-1-(1-pyridin-2-ylpiperidin-4-yl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline is Clc1ccc2c(c1)CCc1nnc(C3CCN(c4ccccn4)CC3)n1-2.
What is the InChIKey of 7-chloro-1-(1-pyridin-2-ylpiperidin-4-yl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline?
The InChIKey is UEESSQLTYXCSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5/c21-16-5-6-17-15(13-16)4-7-19-23-24-20(26(17)19)14-8-11-25(12-9-14)18-3-1-2-10-22-18/h1-3,5-6,10,13-14H,4,7-9,11-12H2.
What are the key properties of 7-chloro-1-(1-pyridin-2-ylpiperidin-4-yl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline?
7-chloro-1-(1-pyridin-2-ylpiperidin-4-yl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline has a molecular weight of 365.87 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(1-pyridin-2-ylpiperidin-4-yl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline is sourced from PubChem (CID 162660975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).