3-methyl-6-propan-2-yl-N-(2-quinolin-8-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C22H22N4O2 — CID 78836643

About 3-methyl-6-propan-2-yl-N-(2-quinolin-8-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

3-methyl-6-propan-2-yl-N-(2-quinolin-8-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 78836643) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-methyl-6-propan-2-yl-N-(2-quinolin-8-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 3-methyl-6-propan-2-yl-N-(2-quinolin-8-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 78836643
• Molecular Formula: C22H22N4O2
• Molecular Weight: 374.44 g/mol
• Exact Mass: 374.17
• IUPAC Name: 3-methyl-6-propan-2-yl-N-(2-quinolin-8-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1noc2nc(C(C)C)cc(C(=O)NCCc3cccc4cccnc34)c12
• InChI: InChI=1S/C22H22N4O2/c1-13(2)18-12-17(19-14(3)26-28-22(19)25-18)21(27)24-11-9-16-7-4-6-15-8-5-10-23-20(15)16/h4-8,10,12-13H,9,11H2,1-3H3,(H,24,27)
• InChIKey: ZWVOYQGFYSJJPM-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 80.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.44
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-propan-2-yl-N-(2-quinolin-8-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 3-methyl-6-propan-2-yl-N-(2-quinolin-8-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 78836643) is 3-methyl-6-propan-2-yl-N-(2-quinolin-8-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 3-methyl-6-propan-2-yl-N-(2-quinolin-8-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 3-methyl-6-propan-2-yl-N-(2-quinolin-8-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(C(C)C)cc(C(=O)NCCc3cccc4cccnc34)c12.

What is the InChIKey of 3-methyl-6-propan-2-yl-N-(2-quinolin-8-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is ZWVOYQGFYSJJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-13(2)18-12-17(19-14(3)26-28-22(19)25-18)21(27)24-11-9-16-7-4-6-15-8-5-10-23-20(15)16/h4-8,10,12-13H,9,11H2,1-3H3,(H,24,27).

What are the key properties of 3-methyl-6-propan-2-yl-N-(2-quinolin-8-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

3-methyl-6-propan-2-yl-N-(2-quinolin-8-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-6-propan-2-yl-N-(2-quinolin-8-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 78836643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).