1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxolan-3-yl)piperidin-4-amine

C22H27N5O2 — CID 129252307

About 1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxolan-3-yl)piperidin-4-amine

1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxolan-3-yl)piperidin-4-amine (PubChem CID 129252307) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxolan-3-yl)piperidin-4-amine.

Molecular Properties

• Compound Name: 1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxolan-3-yl)piperidin-4-amine
• PubChem CID: 129252307
• Molecular Formula: C22H27N5O2
• Molecular Weight: 393.49 g/mol
• Exact Mass: 393.22
• IUPAC Name: 1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxolan-3-yl)piperidin-4-amine
• SMILES: Cc1ccc2nc(N3CCC(NC4CCOC4)CC3)c(-c3noc(C)n3)cc2c1
• InChI: InChI=1S/C22H27N5O2/c1-14-3-4-20-16(11-14)12-19(21-23-15(2)29-26-21)22(25-20)27-8-5-17(6-9-27)24-18-7-10-28-13-18/h3-4,11-12,17-18,24H,5-10,13H2,1-2H3
• InChIKey: JDGRQEQVUDTNEF-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 76.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.49
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxolan-3-yl)piperidin-4-amine?

The IUPAC name of 1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxolan-3-yl)piperidin-4-amine (CID 129252307) is 1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxolan-3-yl)piperidin-4-amine.

What is the SMILES notation for 1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxolan-3-yl)piperidin-4-amine?

The canonical SMILES for 1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxolan-3-yl)piperidin-4-amine is Cc1ccc2nc(N3CCC(NC4CCOC4)CC3)c(-c3noc(C)n3)cc2c1.

What is the InChIKey of 1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxolan-3-yl)piperidin-4-amine?

The InChIKey is JDGRQEQVUDTNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-14-3-4-20-16(11-14)12-19(21-23-15(2)29-26-21)22(25-20)27-8-5-17(6-9-27)24-18-7-10-28-13-18/h3-4,11-12,17-18,24H,5-10,13H2,1-2H3.

What are the key properties of 1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxolan-3-yl)piperidin-4-amine?

1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxolan-3-yl)piperidin-4-amine has a molecular weight of 393.49 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxolan-3-yl)piperidin-4-amine is sourced from PubChem (CID 129252307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).