5-cyclopropyl-3-(2,6-dimethylphenyl)-4-[7-(2-methylquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole;ethane

C34H39N3O — CID 142582438

About 5-cyclopropyl-3-(2,6-dimethylphenyl)-4-[7-(2-methylquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole;ethane

5-cyclopropyl-3-(2,6-dimethylphenyl)-4-[7-(2-methylquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole;ethane (PubChem CID 142582438) has the molecular formula C34H39N3O and a molecular weight of 505.71 g/mol. Its IUPAC name is 5-cyclopropyl-3-(2,6-dimethylphenyl)-4-[7-(2-methylquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole;ethane.

Molecular Properties

• Compound Name: 5-cyclopropyl-3-(2,6-dimethylphenyl)-4-[7-(2-methylquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole;ethane
• PubChem CID: 142582438
• Molecular Formula: C34H39N3O
• Molecular Weight: 505.71 g/mol
• Exact Mass: 505.31
• IUPAC Name: 5-cyclopropyl-3-(2,6-dimethylphenyl)-4-[7-(2-methylquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole;ethane
• SMILES: CC.Cc1ccc2cc(N3CCC4(C=C(c5c(-c6c(C)cccc6C)noc5C5CC5)C4)CC3)ccc2n1
• InChI: InChI=1S/C32H33N3O.C2H6/c1-20-5-4-6-21(2)28(20)30-29(31(36-34-30)23-9-10-23)25-18-32(19-25)13-15-35(16-14-32)26-11-12-27-24(17-26)8-7-22(3)33-27;1-2/h4-8,11-12,17-18,23H,9-10,13-16,19H2,1-3H3;1-2H3
• InChIKey: GJCGVSNIMFWVGF-UHFFFAOYSA-N
• XLogP: 8.79
• TPSA: 42.16 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.71
LogP ≤ 5	8.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-(2,6-dimethylphenyl)-4-[7-(2-methylquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole;ethane?

The IUPAC name of 5-cyclopropyl-3-(2,6-dimethylphenyl)-4-[7-(2-methylquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole;ethane (CID 142582438) is 5-cyclopropyl-3-(2,6-dimethylphenyl)-4-[7-(2-methylquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole;ethane.

What is the SMILES notation for 5-cyclopropyl-3-(2,6-dimethylphenyl)-4-[7-(2-methylquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole;ethane?

The canonical SMILES for 5-cyclopropyl-3-(2,6-dimethylphenyl)-4-[7-(2-methylquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole;ethane is CC.Cc1ccc2cc(N3CCC4(C=C(c5c(-c6c(C)cccc6C)noc5C5CC5)C4)CC3)ccc2n1.

What is the InChIKey of 5-cyclopropyl-3-(2,6-dimethylphenyl)-4-[7-(2-methylquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole;ethane?

The InChIKey is GJCGVSNIMFWVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N3O.C2H6/c1-20-5-4-6-21(2)28(20)30-29(31(36-34-30)23-9-10-23)25-18-32(19-25)13-15-35(16-14-32)26-11-12-27-24(17-26)8-7-22(3)33-27;1-2/h4-8,11-12,17-18,23H,9-10,13-16,19H2,1-3H3;1-2H3.

What are the key properties of 5-cyclopropyl-3-(2,6-dimethylphenyl)-4-[7-(2-methylquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole;ethane?

5-cyclopropyl-3-(2,6-dimethylphenyl)-4-[7-(2-methylquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole;ethane has a molecular weight of 505.71 g/mol, XLogP of 8.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-3-(2,6-dimethylphenyl)-4-[7-(2-methylquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole;ethane is sourced from PubChem (CID 142582438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).