2-cyclopentyl-4-(4-fluorophenyl)-7-(phenylmethoxymethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroquinolin-5-ol

C36H35F4NO2 — CID 59950733

IUPAC2-cyclopentyl-4-(4-fluorophenyl)-7-(phenylmethoxymethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroquinolin-5-ol
SMILESOC1CC(COCc2ccccc2)Cc2nc(C3CCCC3)c(Cc3ccc(C(F)(F)F)cc3)c(-c3ccc(F)cc3)c21
InChIInChI=1S/C36H35F4NO2/c37-29-16-12-26(13-17-29)33-30(18-23-10-14-28(15-11-23)36(38,39)40)35(27-8-4-5-9-27)41-31-19-25(20-32(42)34(31)33)22-43-21-24-6-2-1-3-7-24/h1-3,6-7,10-17,25,27,32,42H,4-5,8-9,18-22H2
InChIKeyFFDARESGGPRUPO-UHFFFAOYSA-N
MW589.67 g/mol
LogP8.97
Rot. Bonds8

About 2-cyclopentyl-4-(4-fluorophenyl)-7-(phenylmethoxymethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroquinolin-5-ol

2-cyclopentyl-4-(4-fluorophenyl)-7-(phenylmethoxymethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroquinolin-5-ol (PubChem CID 59950733) has the molecular formula C36H35F4NO2 and a molecular weight of 589.67 g/mol. Its IUPAC name is 2-cyclopentyl-4-(4-fluorophenyl)-7-(phenylmethoxymethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroquinolin-5-ol.

Molecular Properties

Compound Name2-cyclopentyl-4-(4-fluorophenyl)-7-(phenylmethoxymethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroquinolin-5-ol
PubChem CID59950733
Molecular FormulaC36H35F4NO2
Molecular Weight589.67 g/mol
Exact Mass589.26
IUPAC Name2-cyclopentyl-4-(4-fluorophenyl)-7-(phenylmethoxymethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroquinolin-5-ol
SMILESOC1CC(COCc2ccccc2)Cc2nc(C3CCCC3)c(Cc3ccc(C(F)(F)F)cc3)c(-c3ccc(F)cc3)c21
InChIInChI=1S/C36H35F4NO2/c37-29-16-12-26(13-17-29)33-30(18-23-10-14-28(15-11-23)36(38,39)40)35(27-8-4-5-9-27)41-31-19-25(20-32(42)34(31)33)22-43-21-24-6-2-1-3-7-24/h1-3,6-7,10-17,25,27,32,42H,4-5,8-9,18-22H2
InChIKeyFFDARESGGPRUPO-UHFFFAOYSA-N
XLogP8.97
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.67
LogP ≤ 58.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-4-(4-fluorophenyl)-7,7-dimethyl-3-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-quinolin-5-ol
CID 15391919
2-cyclopentyl-4-(4-fluorophenyl)-3-[2-fluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-7-(hydroxymethyl)-5,6,7,8-tetrahydroquinolin-5-ol
CID 54363823
2-cyclopentyl-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7-(methoxymethyl)-5,6,7,8-tetrahydroquinolin-5-ol
CID 59950692
2-cyclopentyl-4-(4-fluorophenyl)-7-methyl-3-[3-methyl-1-[4-(trifluoromethyl)phenyl]butyl]-5,6,7,8-tetrahydroquinolin-5-ol
CID 15391915
2-cyclopentyl-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinolin-5-ol
CID 15391917
[2-cyclopentyl-4-(4-fluorophenyl)-5-hydroxy-7-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 54500715
7-benzyl-2-cyclopentyl-4-(4-fluorophenyl)-5,6,7,8-tetrahydroquinolin-5-ol
CID 54239291
2-cyclopentyl-4-thiophen-2-yl-3-[[4-(trifluoromethyl)phenyl]methyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-5-ol
CID 142825389
(5S)-2-cyclopentyl-4-(4-fluorophenyl)-3-[(R)-hydroxy-[4-(trifluoromethyl)phenyl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinolin-5-ol
CID 163490270
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
(4S)-7-cyclopentyl-5-(4-fluorophenyl)-2,2-dimethyl-6-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydrochromen-4-ol;fluoromethane
CID 143542251
(4S)-7-cyclopentyl-5-(4-fluorophenyl)-6-[[4-(trifluoromethyl)phenyl]methyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol
CID 143542263

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-(4-fluorophenyl)-7-(phenylmethoxymethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroquinolin-5-ol?
The IUPAC name of 2-cyclopentyl-4-(4-fluorophenyl)-7-(phenylmethoxymethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroquinolin-5-ol (CID 59950733) is 2-cyclopentyl-4-(4-fluorophenyl)-7-(phenylmethoxymethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroquinolin-5-ol.
What is the SMILES notation for 2-cyclopentyl-4-(4-fluorophenyl)-7-(phenylmethoxymethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroquinolin-5-ol?
The canonical SMILES for 2-cyclopentyl-4-(4-fluorophenyl)-7-(phenylmethoxymethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroquinolin-5-ol is OC1CC(COCc2ccccc2)Cc2nc(C3CCCC3)c(Cc3ccc(C(F)(F)F)cc3)c(-c3ccc(F)cc3)c21.
What is the InChIKey of 2-cyclopentyl-4-(4-fluorophenyl)-7-(phenylmethoxymethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroquinolin-5-ol?
The InChIKey is FFDARESGGPRUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35F4NO2/c37-29-16-12-26(13-17-29)33-30(18-23-10-14-28(15-11-23)36(38,39)40)35(27-8-4-5-9-27)41-31-19-25(20-32(42)34(31)33)22-43-21-24-6-2-1-3-7-24/h1-3,6-7,10-17,25,27,32,42H,4-5,8-9,18-22H2.
What are the key properties of 2-cyclopentyl-4-(4-fluorophenyl)-7-(phenylmethoxymethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroquinolin-5-ol?
2-cyclopentyl-4-(4-fluorophenyl)-7-(phenylmethoxymethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroquinolin-5-ol has a molecular weight of 589.67 g/mol, XLogP of 8.97, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-(4-fluorophenyl)-7-(phenylmethoxymethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroquinolin-5-ol is sourced from PubChem (CID 59950733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).