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

C29H29F4NO2 — CID 15391909

IUPAC2-cyclopentyl-4-(4-fluorophenyl)-3-[[4-(trifluoromethyl)phenyl]methoxymethyl]-5,6,7,8-tetrahydroquinolin-5-ol
SMILESOC1CCCc2nc(C3CCCC3)c(COCc3ccc(C(F)(F)F)cc3)c(-c3ccc(F)cc3)c21
InChIInChI=1S/C29H29F4NO2/c30-22-14-10-19(11-15-22)26-23(17-36-16-18-8-12-21(13-9-18)29(31,32)33)28(20-4-1-2-5-20)34-24-6-3-7-25(35)27(24)26/h8-15,20,25,35H,1-7,16-17H2
InChIKeyIHMQVIUXIALUGO-UHFFFAOYSA-N
MW499.55 g/mol
LogP7.65
Rot. Bonds6

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

2-cyclopentyl-4-(4-fluorophenyl)-3-[[4-(trifluoromethyl)phenyl]methoxymethyl]-5,6,7,8-tetrahydroquinolin-5-ol (PubChem CID 15391909) has the molecular formula C29H29F4NO2 and a molecular weight of 499.55 g/mol. Its IUPAC name is 2-cyclopentyl-4-(4-fluorophenyl)-3-[[4-(trifluoromethyl)phenyl]methoxymethyl]-5,6,7,8-tetrahydroquinolin-5-ol.

Molecular Properties

Compound Name2-cyclopentyl-4-(4-fluorophenyl)-3-[[4-(trifluoromethyl)phenyl]methoxymethyl]-5,6,7,8-tetrahydroquinolin-5-ol
PubChem CID15391909
Molecular FormulaC29H29F4NO2
Molecular Weight499.55 g/mol
Exact Mass499.21
IUPAC Name2-cyclopentyl-4-(4-fluorophenyl)-3-[[4-(trifluoromethyl)phenyl]methoxymethyl]-5,6,7,8-tetrahydroquinolin-5-ol
SMILESOC1CCCc2nc(C3CCCC3)c(COCc3ccc(C(F)(F)F)cc3)c(-c3ccc(F)cc3)c21
InChIInChI=1S/C29H29F4NO2/c30-22-14-10-19(11-15-22)26-23(17-36-16-18-8-12-21(13-9-18)29(31,32)33)28(20-4-1-2-5-20)34-24-6-3-7-25(35)27(24)26/h8-15,20,25,35H,1-7,16-17H2
InChIKeyIHMQVIUXIALUGO-UHFFFAOYSA-N
XLogP7.65
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.55
LogP ≤ 57.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyclopentyl-4-(4-fluorophenyl)-3-[[4-(trifluoromethyl)phenyl]methoxymethyl]-5,6,7,8-tetrahydroquinolin-5-ol with MolForge

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Related Compounds

Bay-60-5521
CID 11691871
CID 46880878
CID 46880878
(3R,9S)-7,7-dimethyl-4-propan-2-yl-3-[4-(trifluoromethyl)phenyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-9-ol
CID 53468799
(S)-2-cyclopentyl-3-((S)-fluoro(4-(trifluoromethyl)phenyl)methyl)-4-(4-fluorophenyl)-7,7-dimethyl-5,6,7,8-tetrahydroquinolin-5-ol
CID 9936334
(S)-4-cyclohexyl-3-((S)-fluoro(4-(trifluoromethyl)phenyl)methyl)-2-isopropyl-7,7-dimethyl-5,6,7,8-tetrahydroquinolin-5-ol
CID 11554734
trans-4-Cyclohexyl-2-cyclopentyl-3-(hydroxy(4-(trifluoromethyl)phenyl)methyl)-7,7-dimethyl-5,6,7,8-tetrahydroquinolin-5-ol
CID 46880362
(5S)-4-cyclohexyl-3-[(S)-hydroxy-[4-(trifluoromethyl)phenyl]methyl]-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-5-ol
CID 46880363
(5S)-4-cyclohexyl-2-cyclopentyl-3-[(S)-hydroxy-[4-(trifluoromethyl)phenyl]methyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-5-ol
CID 46880406
(S)-4-cyclohexyl-2-cyclopentyl-7,7-dimethyl-3-(4-(trifluoromethyl)benzyl)-5,6,7,8-tetrahydroquinolin-5-ol
CID 46880460
CID 53467539
CID 53467539
CID 53467748
CID 53467748
CID 53467749
CID 53467749

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-(4-fluorophenyl)-3-[[4-(trifluoromethyl)phenyl]methoxymethyl]-5,6,7,8-tetrahydroquinolin-5-ol?
The IUPAC name of 2-cyclopentyl-4-(4-fluorophenyl)-3-[[4-(trifluoromethyl)phenyl]methoxymethyl]-5,6,7,8-tetrahydroquinolin-5-ol (CID 15391909) is 2-cyclopentyl-4-(4-fluorophenyl)-3-[[4-(trifluoromethyl)phenyl]methoxymethyl]-5,6,7,8-tetrahydroquinolin-5-ol.
What is the SMILES notation for 2-cyclopentyl-4-(4-fluorophenyl)-3-[[4-(trifluoromethyl)phenyl]methoxymethyl]-5,6,7,8-tetrahydroquinolin-5-ol?
The canonical SMILES for 2-cyclopentyl-4-(4-fluorophenyl)-3-[[4-(trifluoromethyl)phenyl]methoxymethyl]-5,6,7,8-tetrahydroquinolin-5-ol is OC1CCCc2nc(C3CCCC3)c(COCc3ccc(C(F)(F)F)cc3)c(-c3ccc(F)cc3)c21.
What is the InChIKey of 2-cyclopentyl-4-(4-fluorophenyl)-3-[[4-(trifluoromethyl)phenyl]methoxymethyl]-5,6,7,8-tetrahydroquinolin-5-ol?
The InChIKey is IHMQVIUXIALUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F4NO2/c30-22-14-10-19(11-15-22)26-23(17-36-16-18-8-12-21(13-9-18)29(31,32)33)28(20-4-1-2-5-20)34-24-6-3-7-25(35)27(24)26/h8-15,20,25,35H,1-7,16-17H2.
What are the key properties of 2-cyclopentyl-4-(4-fluorophenyl)-3-[[4-(trifluoromethyl)phenyl]methoxymethyl]-5,6,7,8-tetrahydroquinolin-5-ol?
2-cyclopentyl-4-(4-fluorophenyl)-3-[[4-(trifluoromethyl)phenyl]methoxymethyl]-5,6,7,8-tetrahydroquinolin-5-ol has a molecular weight of 499.55 g/mol, XLogP of 7.65, 6 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)-3-[[4-(trifluoromethyl)phenyl]methoxymethyl]-5,6,7,8-tetrahydroquinolin-5-ol is sourced from PubChem (CID 15391909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).