5-methyl-3-[1-(3-methylquinolin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole

C18H20N4O — CID 75384063

IUPAC5-methyl-3-[1-(3-methylquinolin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole
SMILESCc1nc(C2CCN(c3nc4ccccc4cc3C)CC2)no1
InChIInChI=1S/C18H20N4O/c1-12-11-15-5-3-4-6-16(15)20-18(12)22-9-7-14(8-10-22)17-19-13(2)23-21-17/h3-6,11,14H,7-10H2,1-2H3
InChIKeySUXLTAXEFBNWFR-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.62
Rot. Bonds2

About 5-methyl-3-[1-(3-methylquinolin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole

5-methyl-3-[1-(3-methylquinolin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole (PubChem CID 75384063) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 5-methyl-3-[1-(3-methylquinolin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[1-(3-methylquinolin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole
PubChem CID75384063
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name5-methyl-3-[1-(3-methylquinolin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole
SMILESCc1nc(C2CCN(c3nc4ccccc4cc3C)CC2)no1
InChIInChI=1S/C18H20N4O/c1-12-11-15-5-3-4-6-16(15)20-18(12)22-9-7-14(8-10-22)17-19-13(2)23-21-17/h3-6,11,14H,7-10H2,1-2H3
InChIKeySUXLTAXEFBNWFR-UHFFFAOYSA-N
XLogP3.62
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5,5-Dimethyl-3-[4-[1-(2-quinolinyl)-4-piperazinyl]butyl]-4-thiazolidinone
CID 10597030
2-{5-[1-(Cycloheptylacetyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl}quinoline
CID 44629066
Cyclohexyl 4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate
CID 44629067
N-(2-phenylcyclopropyl)-4-(3-(quinolin-2-yl)-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 45271618
N-cyclohexyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide
CID 56668936
3-Methyl-5-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 58547538
2-{(E)-2-[4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]ethenyl}quinoline
CID 72706417
1-[4-Methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]pyrrolidine-2,5-dione
CID 3239397
1-Phenyl-3-(2-(pyrrolidin-1-yl)quinazolin-4-yl)urea
CID 10616645
3-(4-(3-(Pyridin-4-yl)-1,2,4-oxadiazol-5-yl)piperidin-1-yl)quinoline
CID 44577553
3-(4-(3-Cyclohexyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl)quinoline
CID 44577703
N-cyclopentyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 44628618

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[1-(3-methylquinolin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[1-(3-methylquinolin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole (CID 75384063) is 5-methyl-3-[1-(3-methylquinolin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[1-(3-methylquinolin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[1-(3-methylquinolin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole is Cc1nc(C2CCN(c3nc4ccccc4cc3C)CC2)no1.
What is the InChIKey of 5-methyl-3-[1-(3-methylquinolin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole?
The InChIKey is SUXLTAXEFBNWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-12-11-15-5-3-4-6-16(15)20-18(12)22-9-7-14(8-10-22)17-19-13(2)23-21-17/h3-6,11,14H,7-10H2,1-2H3.
What are the key properties of 5-methyl-3-[1-(3-methylquinolin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole?
5-methyl-3-[1-(3-methylquinolin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole has a molecular weight of 308.38 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[1-(3-methylquinolin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 75384063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).