8-methyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-N-(2-pyridin-2-ylethyl)quinolin-2-amine

C25H21N5O — CID 50754502

About 8-methyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-N-(2-pyridin-2-ylethyl)quinolin-2-amine

8-methyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-N-(2-pyridin-2-ylethyl)quinolin-2-amine (PubChem CID 50754502) has the molecular formula C25H21N5O and a molecular weight of 407.48 g/mol. Its IUPAC name is 8-methyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-N-(2-pyridin-2-ylethyl)quinolin-2-amine.

Molecular Properties

• Compound Name: 8-methyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-N-(2-pyridin-2-ylethyl)quinolin-2-amine
• PubChem CID: 50754502
• Molecular Formula: C25H21N5O
• Molecular Weight: 407.48 g/mol
• Exact Mass: 407.17
• IUPAC Name: 8-methyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-N-(2-pyridin-2-ylethyl)quinolin-2-amine
• SMILES: Cc1cccc2cc(-c3noc(-c4ccccc4)n3)c(NCCc3ccccn3)nc12
• InChI: InChI=1S/C25H21N5O/c1-17-8-7-11-19-16-21(24-29-25(31-30-24)18-9-3-2-4-10-18)23(28-22(17)19)27-15-13-20-12-5-6-14-26-20/h2-12,14,16H,13,15H2,1H3,(H,27,28)
• InChIKey: ZLVSGJPCGVAMEM-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 76.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	407.48
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-N-(2-pyridin-2-ylethyl)quinolin-2-amine?

The IUPAC name of 8-methyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-N-(2-pyridin-2-ylethyl)quinolin-2-amine (CID 50754502) is 8-methyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-N-(2-pyridin-2-ylethyl)quinolin-2-amine.

What is the SMILES notation for 8-methyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-N-(2-pyridin-2-ylethyl)quinolin-2-amine?

The canonical SMILES for 8-methyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-N-(2-pyridin-2-ylethyl)quinolin-2-amine is Cc1cccc2cc(-c3noc(-c4ccccc4)n3)c(NCCc3ccccn3)nc12.

What is the InChIKey of 8-methyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-N-(2-pyridin-2-ylethyl)quinolin-2-amine?

The InChIKey is ZLVSGJPCGVAMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O/c1-17-8-7-11-19-16-21(24-29-25(31-30-24)18-9-3-2-4-10-18)23(28-22(17)19)27-15-13-20-12-5-6-14-26-20/h2-12,14,16H,13,15H2,1H3,(H,27,28).

What are the key properties of 8-methyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-N-(2-pyridin-2-ylethyl)quinolin-2-amine?

8-methyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-N-(2-pyridin-2-ylethyl)quinolin-2-amine has a molecular weight of 407.48 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-methyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-N-(2-pyridin-2-ylethyl)quinolin-2-amine is sourced from PubChem (CID 50754502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).