(6-chloroquinolin-8-yl)-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone

C24H22ClN5O2 — CID 55887782

IUPAC(6-chloroquinolin-8-yl)-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
SMILESCc1ccc(-c2noc(CN3CCN(C(=O)c4cc(Cl)cc5cccnc45)CC3)n2)cc1
InChIInChI=1S/C24H22ClN5O2/c1-16-4-6-17(7-5-16)23-27-21(32-28-23)15-29-9-11-30(12-10-29)24(31)20-14-19(25)13-18-3-2-8-26-22(18)20/h2-8,13-14H,9-12,15H2,1H3
InChIKeyBECOSAHEKAFSRD-UHFFFAOYSA-N
MW447.93 g/mol
LogP4.20
Rot. Bonds4

About (6-chloroquinolin-8-yl)-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone

(6-chloroquinolin-8-yl)-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone (PubChem CID 55887782) has the molecular formula C24H22ClN5O2 and a molecular weight of 447.93 g/mol. Its IUPAC name is (6-chloroquinolin-8-yl)-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloroquinolin-8-yl)-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
PubChem CID55887782
Molecular FormulaC24H22ClN5O2
Molecular Weight447.93 g/mol
Exact Mass447.15
IUPAC Name(6-chloroquinolin-8-yl)-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
SMILESCc1ccc(-c2noc(CN3CCN(C(=O)c4cc(Cl)cc5cccnc45)CC3)n2)cc1
InChIInChI=1S/C24H22ClN5O2/c1-16-4-6-17(7-5-16)23-27-21(32-28-23)15-29-9-11-30(12-10-29)24(31)20-14-19(25)13-18-3-2-8-26-22(18)20/h2-8,13-14H,9-12,15H2,1H3
InChIKeyBECOSAHEKAFSRD-UHFFFAOYSA-N
XLogP4.20
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.93
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(6-chloroquinolin-8-yl)-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 55909156
(2,5-difluorophenyl)-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 25492765
[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 47881666
(5-amino-2-methylphenyl)-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone;dihydrochloride
CID 120640919
[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(2,3,5-trichloro-6-hydroxyphenyl)methanone
CID 112821072
[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(3,5-dimethoxy-4-methylphenyl)methanone
CID 37083852
(2,5-dimethylfuran-3-yl)-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 37250280
[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 46493183
2-[4-(6-chloroquinoline-8-carbonyl)piperazin-1-yl]-N,N-diethylacetamide
CID 55871061
[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(1-oxidopyridin-1-ium-4-yl)methanone
CID 134042190
(4-benzylpiperazin-1-yl)-[2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]methanone
CID 46267115
[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 39586467

Frequently Asked Questions

What is the IUPAC name of (6-chloroquinolin-8-yl)-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of (6-chloroquinolin-8-yl)-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone (CID 55887782) is (6-chloroquinolin-8-yl)-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (6-chloroquinolin-8-yl)-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for (6-chloroquinolin-8-yl)-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone is Cc1ccc(-c2noc(CN3CCN(C(=O)c4cc(Cl)cc5cccnc45)CC3)n2)cc1.
What is the InChIKey of (6-chloroquinolin-8-yl)-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is BECOSAHEKAFSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O2/c1-16-4-6-17(7-5-16)23-27-21(32-28-23)15-29-9-11-30(12-10-29)24(31)20-14-19(25)13-18-3-2-8-26-22(18)20/h2-8,13-14H,9-12,15H2,1H3.
What are the key properties of (6-chloroquinolin-8-yl)-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone?
(6-chloroquinolin-8-yl)-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 447.93 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloroquinolin-8-yl)-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 55887782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).