2-cyclopentyl-4-(4-fluorophenyl)-3-[3-methyl-1-[4-(trifluoromethyl)phenyl]butyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclopentane]-5-ol

C36H41F4NO — CID 54117342

About 2-cyclopentyl-4-(4-fluorophenyl)-3-[3-methyl-1-[4-(trifluoromethyl)phenyl]butyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclopentane]-5-ol

2-cyclopentyl-4-(4-fluorophenyl)-3-[3-methyl-1-[4-(trifluoromethyl)phenyl]butyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclopentane]-5-ol (PubChem CID 54117342) has the molecular formula C36H41F4NO and a molecular weight of 579.72 g/mol. Its IUPAC name is 2-cyclopentyl-4-(4-fluorophenyl)-3-[3-methyl-1-[4-(trifluoromethyl)phenyl]butyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclopentane]-5-ol.

Molecular Properties

• Compound Name: 2-cyclopentyl-4-(4-fluorophenyl)-3-[3-methyl-1-[4-(trifluoromethyl)phenyl]butyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclopentane]-5-ol
• PubChem CID: 54117342
• Molecular Formula: C36H41F4NO
• Molecular Weight: 579.72 g/mol
• Exact Mass: 579.31
• IUPAC Name: 2-cyclopentyl-4-(4-fluorophenyl)-3-[3-methyl-1-[4-(trifluoromethyl)phenyl]butyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclopentane]-5-ol
• SMILES: CC(C)CC(c1ccc(C(F)(F)F)cc1)c1c(C2CCCC2)nc2c(c1-c1ccc(F)cc1)C(O)CC1(CCCC1)C2
• InChI: InChI=1S/C36H41F4NO/c1-22(2)19-28(23-9-13-26(14-10-23)36(38,39)40)32-31(24-11-15-27(37)16-12-24)33-29(41-34(32)25-7-3-4-8-25)20-35(21-30(33)42)17-5-6-18-35/h9-16,22,25,28,30,42H,3-8,17-21H2,1-2H3
• InChIKey: NLFYHDQCYWFYKH-UHFFFAOYSA-N
• XLogP: 10.28
• TPSA: 33.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	579.72
LogP ≤ 5	10.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-(4-fluorophenyl)-3-[3-methyl-1-[4-(trifluoromethyl)phenyl]butyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclopentane]-5-ol?

The IUPAC name of 2-cyclopentyl-4-(4-fluorophenyl)-3-[3-methyl-1-[4-(trifluoromethyl)phenyl]butyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclopentane]-5-ol (CID 54117342) is 2-cyclopentyl-4-(4-fluorophenyl)-3-[3-methyl-1-[4-(trifluoromethyl)phenyl]butyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclopentane]-5-ol.

What is the SMILES notation for 2-cyclopentyl-4-(4-fluorophenyl)-3-[3-methyl-1-[4-(trifluoromethyl)phenyl]butyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclopentane]-5-ol?

The canonical SMILES for 2-cyclopentyl-4-(4-fluorophenyl)-3-[3-methyl-1-[4-(trifluoromethyl)phenyl]butyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclopentane]-5-ol is CC(C)CC(c1ccc(C(F)(F)F)cc1)c1c(C2CCCC2)nc2c(c1-c1ccc(F)cc1)C(O)CC1(CCCC1)C2.

What is the InChIKey of 2-cyclopentyl-4-(4-fluorophenyl)-3-[3-methyl-1-[4-(trifluoromethyl)phenyl]butyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclopentane]-5-ol?

The InChIKey is NLFYHDQCYWFYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H41F4NO/c1-22(2)19-28(23-9-13-26(14-10-23)36(38,39)40)32-31(24-11-15-27(37)16-12-24)33-29(41-34(32)25-7-3-4-8-25)20-35(21-30(33)42)17-5-6-18-35/h9-16,22,25,28,30,42H,3-8,17-21H2,1-2H3.

What are the key properties of 2-cyclopentyl-4-(4-fluorophenyl)-3-[3-methyl-1-[4-(trifluoromethyl)phenyl]butyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclopentane]-5-ol?

2-cyclopentyl-4-(4-fluorophenyl)-3-[3-methyl-1-[4-(trifluoromethyl)phenyl]butyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclopentane]-5-ol has a molecular weight of 579.72 g/mol, XLogP of 10.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopentyl-4-(4-fluorophenyl)-3-[3-methyl-1-[4-(trifluoromethyl)phenyl]butyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclopentane]-5-ol is sourced from PubChem (CID 54117342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).