5-cyclopropyl-4-[[7-[2-methyl-4-(oxolan-3-yloxy)quinolin-6-yl]-7-azaspiro[3.5]nonan-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole

C36H38F3N3O3 — CID 142581829

About 5-cyclopropyl-4-[[7-[2-methyl-4-(oxolan-3-yloxy)quinolin-6-yl]-7-azaspiro[3.5]nonan-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole

5-cyclopropyl-4-[[7-[2-methyl-4-(oxolan-3-yloxy)quinolin-6-yl]-7-azaspiro[3.5]nonan-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole (PubChem CID 142581829) has the molecular formula C36H38F3N3O3 and a molecular weight of 617.71 g/mol. Its IUPAC name is 5-cyclopropyl-4-[[7-[2-methyl-4-(oxolan-3-yloxy)quinolin-6-yl]-7-azaspiro[3.5]nonan-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole.

Molecular Properties

• Compound Name: 5-cyclopropyl-4-[[7-[2-methyl-4-(oxolan-3-yloxy)quinolin-6-yl]-7-azaspiro[3.5]nonan-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole
• PubChem CID: 142581829
• Molecular Formula: C36H38F3N3O3
• Molecular Weight: 617.71 g/mol
• Exact Mass: 617.29
• IUPAC Name: 5-cyclopropyl-4-[[7-[2-methyl-4-(oxolan-3-yloxy)quinolin-6-yl]-7-azaspiro[3.5]nonan-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole
• SMILES: Cc1cc(OC2CCOC2)c2cc(N3CCC4(CC3)CC(Cc3c(-c5ccccc5C(F)(F)F)noc3C3CC3)C4)ccc2n1
• InChI: InChI=1S/C36H38F3N3O3/c1-22-16-32(44-26-10-15-43-21-26)28-18-25(8-9-31(28)40-22)42-13-11-35(12-14-42)19-23(20-35)17-29-33(41-45-34(29)24-6-7-24)27-4-2-3-5-30(27)36(37,38)39/h2-5,8-9,16,18,23-24,26H,6-7,10-15,17,19-21H2,1H3
• InChIKey: RFCFYFJFPMIUNL-UHFFFAOYSA-N
• XLogP: 8.50
• TPSA: 60.62 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	617.71
LogP ≤ 5	8.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-[[7-[2-methyl-4-(oxolan-3-yloxy)quinolin-6-yl]-7-azaspiro[3.5]nonan-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole?

The IUPAC name of 5-cyclopropyl-4-[[7-[2-methyl-4-(oxolan-3-yloxy)quinolin-6-yl]-7-azaspiro[3.5]nonan-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole (CID 142581829) is 5-cyclopropyl-4-[[7-[2-methyl-4-(oxolan-3-yloxy)quinolin-6-yl]-7-azaspiro[3.5]nonan-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole.

What is the SMILES notation for 5-cyclopropyl-4-[[7-[2-methyl-4-(oxolan-3-yloxy)quinolin-6-yl]-7-azaspiro[3.5]nonan-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole?

The canonical SMILES for 5-cyclopropyl-4-[[7-[2-methyl-4-(oxolan-3-yloxy)quinolin-6-yl]-7-azaspiro[3.5]nonan-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole is Cc1cc(OC2CCOC2)c2cc(N3CCC4(CC3)CC(Cc3c(-c5ccccc5C(F)(F)F)noc3C3CC3)C4)ccc2n1.

What is the InChIKey of 5-cyclopropyl-4-[[7-[2-methyl-4-(oxolan-3-yloxy)quinolin-6-yl]-7-azaspiro[3.5]nonan-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole?

The InChIKey is RFCFYFJFPMIUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38F3N3O3/c1-22-16-32(44-26-10-15-43-21-26)28-18-25(8-9-31(28)40-22)42-13-11-35(12-14-42)19-23(20-35)17-29-33(41-45-34(29)24-6-7-24)27-4-2-3-5-30(27)36(37,38)39/h2-5,8-9,16,18,23-24,26H,6-7,10-15,17,19-21H2,1H3.

What are the key properties of 5-cyclopropyl-4-[[7-[2-methyl-4-(oxolan-3-yloxy)quinolin-6-yl]-7-azaspiro[3.5]nonan-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole?

5-cyclopropyl-4-[[7-[2-methyl-4-(oxolan-3-yloxy)quinolin-6-yl]-7-azaspiro[3.5]nonan-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole has a molecular weight of 617.71 g/mol, XLogP of 8.50, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-4-[[7-[2-methyl-4-(oxolan-3-yloxy)quinolin-6-yl]-7-azaspiro[3.5]nonan-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole is sourced from PubChem (CID 142581829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).