2-cyclopentyl-4-(4-fluorophenyl)-7-methyl-3-[3-methyl-1-[4-(trifluoromethyl)phenyl]butyl]-5,6,7,8-tetrahydroquinolin-5-ol

C33H37F4NO — CID 15391915

IUPAC2-cyclopentyl-4-(4-fluorophenyl)-7-methyl-3-[3-methyl-1-[4-(trifluoromethyl)phenyl]butyl]-5,6,7,8-tetrahydroquinolin-5-ol
SMILESCC(C)CC(c1ccc(C(F)(F)F)cc1)c1c(C2CCCC2)nc2c(c1-c1ccc(F)cc1)C(O)CC(C)C2
InChIInChI=1S/C33H37F4NO/c1-19(2)16-26(21-8-12-24(13-9-21)33(35,36)37)30-29(22-10-14-25(34)15-11-22)31-27(17-20(3)18-28(31)39)38-32(30)23-6-4-5-7-23/h8-15,19-20,23,26,28,39H,4-7,16-18H2,1-3H3
InChIKeyNXNLJTCHIJCDMG-UHFFFAOYSA-N
MW539.66 g/mol
LogP9.36
Rot. Bonds6

About 2-cyclopentyl-4-(4-fluorophenyl)-7-methyl-3-[3-methyl-1-[4-(trifluoromethyl)phenyl]butyl]-5,6,7,8-tetrahydroquinolin-5-ol

2-cyclopentyl-4-(4-fluorophenyl)-7-methyl-3-[3-methyl-1-[4-(trifluoromethyl)phenyl]butyl]-5,6,7,8-tetrahydroquinolin-5-ol (PubChem CID 15391915) has the molecular formula C33H37F4NO and a molecular weight of 539.66 g/mol. Its IUPAC name is 2-cyclopentyl-4-(4-fluorophenyl)-7-methyl-3-[3-methyl-1-[4-(trifluoromethyl)phenyl]butyl]-5,6,7,8-tetrahydroquinolin-5-ol.

Molecular Properties

Compound Name2-cyclopentyl-4-(4-fluorophenyl)-7-methyl-3-[3-methyl-1-[4-(trifluoromethyl)phenyl]butyl]-5,6,7,8-tetrahydroquinolin-5-ol
PubChem CID15391915
Molecular FormulaC33H37F4NO
Molecular Weight539.66 g/mol
Exact Mass539.28
IUPAC Name2-cyclopentyl-4-(4-fluorophenyl)-7-methyl-3-[3-methyl-1-[4-(trifluoromethyl)phenyl]butyl]-5,6,7,8-tetrahydroquinolin-5-ol
SMILESCC(C)CC(c1ccc(C(F)(F)F)cc1)c1c(C2CCCC2)nc2c(c1-c1ccc(F)cc1)C(O)CC(C)C2
InChIInChI=1S/C33H37F4NO/c1-19(2)16-26(21-8-12-24(13-9-21)33(35,36)37)30-29(22-10-14-25(34)15-11-22)31-27(17-20(3)18-28(31)39)38-32(30)23-6-4-5-7-23/h8-15,19-20,23,26,28,39H,4-7,16-18H2,1-3H3
InChIKeyNXNLJTCHIJCDMG-UHFFFAOYSA-N
XLogP9.36
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.66
LogP ≤ 59.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
[2-cyclopentyl-4-(4-fluorophenyl)-5-hydroxy-7-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 54500715
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)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7-(methoxymethyl)-5,6,7,8-tetrahydroquinolin-5-ol
CID 59950692
2-cyclopentyl-4-(4-fluorophenyl)-3-[2-fluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-7-(hydroxymethyl)-5,6,7,8-tetrahydroquinolin-5-ol
CID 54363823
(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-[fluoro-[4-(trifluoromethyl)phenyl]methyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclopropane]-5-ol
CID 54156301
2-cyclopentyl-4-(4-fluorophenyl)-3-[hydroxy-[4-(trifluoromethyl)phenyl]methyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclopropane]-5-ol
CID 54323457
2-cyclopentyl-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-5-ol
CID 54315414
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)-7-(phenylmethoxymethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroquinolin-5-ol
CID 59950733
[2-cyclopentyl-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinolin-5-yl]oxy-(2,2-dimethylpropyl)-dimethylsilane
CID 151760406

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-(4-fluorophenyl)-7-methyl-3-[3-methyl-1-[4-(trifluoromethyl)phenyl]butyl]-5,6,7,8-tetrahydroquinolin-5-ol?
The IUPAC name of 2-cyclopentyl-4-(4-fluorophenyl)-7-methyl-3-[3-methyl-1-[4-(trifluoromethyl)phenyl]butyl]-5,6,7,8-tetrahydroquinolin-5-ol (CID 15391915) is 2-cyclopentyl-4-(4-fluorophenyl)-7-methyl-3-[3-methyl-1-[4-(trifluoromethyl)phenyl]butyl]-5,6,7,8-tetrahydroquinolin-5-ol.
What is the SMILES notation for 2-cyclopentyl-4-(4-fluorophenyl)-7-methyl-3-[3-methyl-1-[4-(trifluoromethyl)phenyl]butyl]-5,6,7,8-tetrahydroquinolin-5-ol?
The canonical SMILES for 2-cyclopentyl-4-(4-fluorophenyl)-7-methyl-3-[3-methyl-1-[4-(trifluoromethyl)phenyl]butyl]-5,6,7,8-tetrahydroquinolin-5-ol is CC(C)CC(c1ccc(C(F)(F)F)cc1)c1c(C2CCCC2)nc2c(c1-c1ccc(F)cc1)C(O)CC(C)C2.
What is the InChIKey of 2-cyclopentyl-4-(4-fluorophenyl)-7-methyl-3-[3-methyl-1-[4-(trifluoromethyl)phenyl]butyl]-5,6,7,8-tetrahydroquinolin-5-ol?
The InChIKey is NXNLJTCHIJCDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37F4NO/c1-19(2)16-26(21-8-12-24(13-9-21)33(35,36)37)30-29(22-10-14-25(34)15-11-22)31-27(17-20(3)18-28(31)39)38-32(30)23-6-4-5-7-23/h8-15,19-20,23,26,28,39H,4-7,16-18H2,1-3H3.
What are the key properties of 2-cyclopentyl-4-(4-fluorophenyl)-7-methyl-3-[3-methyl-1-[4-(trifluoromethyl)phenyl]butyl]-5,6,7,8-tetrahydroquinolin-5-ol?
2-cyclopentyl-4-(4-fluorophenyl)-7-methyl-3-[3-methyl-1-[4-(trifluoromethyl)phenyl]butyl]-5,6,7,8-tetrahydroquinolin-5-ol has a molecular weight of 539.66 g/mol, XLogP of 9.36, 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)-7-methyl-3-[3-methyl-1-[4-(trifluoromethyl)phenyl]butyl]-5,6,7,8-tetrahydroquinolin-5-ol is sourced from PubChem (CID 15391915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).