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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).