5-cyclopropyl-3-(3,5-dimethyl-1,2-dihydropyridin-4-yl)-4-[7-(2,4-dimethylquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole

C32H36N4O — CID 167172480

About 5-cyclopropyl-3-(3,5-dimethyl-1,2-dihydropyridin-4-yl)-4-[7-(2,4-dimethylquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole

5-cyclopropyl-3-(3,5-dimethyl-1,2-dihydropyridin-4-yl)-4-[7-(2,4-dimethylquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole (PubChem CID 167172480) has the molecular formula C32H36N4O and a molecular weight of 492.67 g/mol. Its IUPAC name is 5-cyclopropyl-3-(3,5-dimethyl-1,2-dihydropyridin-4-yl)-4-[7-(2,4-dimethylquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole.

Molecular Properties

• Compound Name: 5-cyclopropyl-3-(3,5-dimethyl-1,2-dihydropyridin-4-yl)-4-[7-(2,4-dimethylquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole
• PubChem CID: 167172480
• Molecular Formula: C32H36N4O
• Molecular Weight: 492.67 g/mol
• Exact Mass: 492.29
• IUPAC Name: 5-cyclopropyl-3-(3,5-dimethyl-1,2-dihydropyridin-4-yl)-4-[7-(2,4-dimethylquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole
• SMILES: CC1=CNCC(C)=C1c1noc(C2CC2)c1C1=CC2(CCN(c3ccc4nc(C)cc(C)c4c3)CC2)C1
• InChI: InChI=1S/C32H36N4O/c1-19-13-22(4)34-27-8-7-25(14-26(19)27)36-11-9-32(10-12-36)15-24(16-32)29-30(35-37-31(29)23-5-6-23)28-20(2)17-33-18-21(28)3/h7-8,13-15,17,23,33H,5-6,9-12,16,18H2,1-4H3
• InChIKey: DKOFSTRMHIUHQG-UHFFFAOYSA-N
• XLogP: 7.07
• TPSA: 54.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.67
LogP ≤ 5	7.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-(3,5-dimethyl-1,2-dihydropyridin-4-yl)-4-[7-(2,4-dimethylquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole?

The IUPAC name of 5-cyclopropyl-3-(3,5-dimethyl-1,2-dihydropyridin-4-yl)-4-[7-(2,4-dimethylquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole (CID 167172480) is 5-cyclopropyl-3-(3,5-dimethyl-1,2-dihydropyridin-4-yl)-4-[7-(2,4-dimethylquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole.

What is the SMILES notation for 5-cyclopropyl-3-(3,5-dimethyl-1,2-dihydropyridin-4-yl)-4-[7-(2,4-dimethylquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole?

The canonical SMILES for 5-cyclopropyl-3-(3,5-dimethyl-1,2-dihydropyridin-4-yl)-4-[7-(2,4-dimethylquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole is CC1=CNCC(C)=C1c1noc(C2CC2)c1C1=CC2(CCN(c3ccc4nc(C)cc(C)c4c3)CC2)C1.

What is the InChIKey of 5-cyclopropyl-3-(3,5-dimethyl-1,2-dihydropyridin-4-yl)-4-[7-(2,4-dimethylquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole?

The InChIKey is DKOFSTRMHIUHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N4O/c1-19-13-22(4)34-27-8-7-25(14-26(19)27)36-11-9-32(10-12-36)15-24(16-32)29-30(35-37-31(29)23-5-6-23)28-20(2)17-33-18-21(28)3/h7-8,13-15,17,23,33H,5-6,9-12,16,18H2,1-4H3.

What are the key properties of 5-cyclopropyl-3-(3,5-dimethyl-1,2-dihydropyridin-4-yl)-4-[7-(2,4-dimethylquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole?

5-cyclopropyl-3-(3,5-dimethyl-1,2-dihydropyridin-4-yl)-4-[7-(2,4-dimethylquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole has a molecular weight of 492.67 g/mol, XLogP of 7.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-3-(3,5-dimethyl-1,2-dihydropyridin-4-yl)-4-[7-(2,4-dimethylquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole is sourced from PubChem (CID 167172480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).