[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-quinolin-2-ylmethanone

C22H20N6O2 — CID 90491240

IUPAC[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-quinolin-2-ylmethanone
SMILESCc1nc(-c2ccc(N3CCN(C(=O)c4ccc5ccccc5n4)CC3)nc2)no1
InChIInChI=1S/C22H20N6O2/c1-15-24-21(26-30-15)17-7-9-20(23-14-17)27-10-12-28(13-11-27)22(29)19-8-6-16-4-2-3-5-18(16)25-19/h2-9,14H,10-13H2,1H3
InChIKeyUGPMBBVUUMOECP-UHFFFAOYSA-N
MW400.44 g/mol
LogP2.95
Rot. Bonds3

About [4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-quinolin-2-ylmethanone

[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-quinolin-2-ylmethanone (PubChem CID 90491240) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is [4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-quinolin-2-ylmethanone.

Molecular Properties

Compound Name[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-quinolin-2-ylmethanone
PubChem CID90491240
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC Name[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-quinolin-2-ylmethanone
SMILESCc1nc(-c2ccc(N3CCN(C(=O)c4ccc5ccccc5n4)CC3)nc2)no1
InChIInChI=1S/C22H20N6O2/c1-15-24-21(26-30-15)17-7-9-20(23-14-17)27-10-12-28(13-11-27)22(29)19-8-6-16-4-2-3-5-18(16)25-19/h2-9,14H,10-13H2,1H3
InChIKeyUGPMBBVUUMOECP-UHFFFAOYSA-N
XLogP2.95
TPSA88.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-quinolin-2-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

3-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 90491225
[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 90491428
5-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carbonyl]pyran-2-one
CID 71780480
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone
CID 71780477
1-[2-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 90491259
(4-pyridin-2-ylpiperazin-1-yl)-quinolin-2-ylmethanone
CID 3691532
(2-chloro-4-fluorophenyl)-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone
CID 90491256
[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone
CID 42110657
cyclohex-3-en-1-yl-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone
CID 90491282
[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone
CID 122336357
1,3-benzothiazol-2-yl-[4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone
CID 90491337
[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-quinolin-2-ylmethanone
CID 46403273

Frequently Asked Questions

What is the IUPAC name of [4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-quinolin-2-ylmethanone?
The IUPAC name of [4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-quinolin-2-ylmethanone (CID 90491240) is [4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-quinolin-2-ylmethanone.
What is the SMILES notation for [4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-quinolin-2-ylmethanone?
The canonical SMILES for [4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-quinolin-2-ylmethanone is Cc1nc(-c2ccc(N3CCN(C(=O)c4ccc5ccccc5n4)CC3)nc2)no1.
What is the InChIKey of [4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-quinolin-2-ylmethanone?
The InChIKey is UGPMBBVUUMOECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c1-15-24-21(26-30-15)17-7-9-20(23-14-17)27-10-12-28(13-11-27)22(29)19-8-6-16-4-2-3-5-18(16)25-19/h2-9,14H,10-13H2,1H3.
What are the key properties of [4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-quinolin-2-ylmethanone?
[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-quinolin-2-ylmethanone has a molecular weight of 400.44 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-quinolin-2-ylmethanone is sourced from PubChem (CID 90491240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).