2-cyclopentyl-4-(4-fluorophenyl)-7,7-dimethyl-3-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-quinolin-5-ol

C30H31F4NO — CID 15391919

IUPAC2-cyclopentyl-4-(4-fluorophenyl)-7,7-dimethyl-3-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-quinolin-5-ol
SMILESCC1(C)Cc2nc(C3CCCC3)c(Cc3ccc(C(F)(F)F)cc3)c(-c3ccc(F)cc3)c2C(O)C1
InChIInChI=1S/C30H31F4NO/c1-29(2)16-24-27(25(36)17-29)26(19-9-13-22(31)14-10-19)23(28(35-24)20-5-3-4-6-20)15-18-7-11-21(12-8-18)30(32,33)34/h7-14,20,25,36H,3-6,15-17H2,1-2H3
InChIKeyZGQVEAXILVUASE-UHFFFAOYSA-N
MW497.58 g/mol
LogP8.16
Rot. Bonds4

About 2-cyclopentyl-4-(4-fluorophenyl)-7,7-dimethyl-3-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-quinolin-5-ol

2-cyclopentyl-4-(4-fluorophenyl)-7,7-dimethyl-3-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-quinolin-5-ol (PubChem CID 15391919) has the molecular formula C30H31F4NO and a molecular weight of 497.58 g/mol. Its IUPAC name is 2-cyclopentyl-4-(4-fluorophenyl)-7,7-dimethyl-3-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-quinolin-5-ol.

Molecular Properties

Compound Name2-cyclopentyl-4-(4-fluorophenyl)-7,7-dimethyl-3-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-quinolin-5-ol
PubChem CID15391919
Molecular FormulaC30H31F4NO
Molecular Weight497.58 g/mol
Exact Mass497.23
IUPAC Name2-cyclopentyl-4-(4-fluorophenyl)-7,7-dimethyl-3-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-quinolin-5-ol
SMILESCC1(C)Cc2nc(C3CCCC3)c(Cc3ccc(C(F)(F)F)cc3)c(-c3ccc(F)cc3)c2C(O)C1
InChIInChI=1S/C30H31F4NO/c1-29(2)16-24-27(25(36)17-29)26(19-9-13-22(31)14-10-19)23(28(35-24)20-5-3-4-6-20)15-18-7-11-21(12-8-18)30(32,33)34/h7-14,20,25,36H,3-6,15-17H2,1-2H3
InChIKeyZGQVEAXILVUASE-UHFFFAOYSA-N
XLogP8.16
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.58
LogP ≤ 58.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(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)-7-(phenylmethoxymethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroquinolin-5-ol
CID 59950733
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-7,7-dimethyl-6,8-dihydro-5H-quinolin-3-yl]-(4-fluorophenyl)methanone
CID 54490878
(4S)-7-cyclopentyl-5-(4-fluorophenyl)-2,2-dimethyl-6-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydrochromen-4-ol;fluoromethane
CID 143542251
2-cyclopentyl-4-thiophen-2-yl-3-[[4-(trifluoromethyl)phenyl]methyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-5-ol
CID 142825389
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
[(5S)-4-cyclohexyl-2-cyclopentyl-5-hydroxy-7,7-dimethyl-6,8-dihydro-5H-quinolin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 46880281
2-cyclopentyl-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-5-ol
CID 54315414
9-cyclopentyl-3,6,6-trimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-ol
CID 74949143
(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)-7,7-dimethyl-3-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-quinolin-5-ol?
The IUPAC name of 2-cyclopentyl-4-(4-fluorophenyl)-7,7-dimethyl-3-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-quinolin-5-ol (CID 15391919) is 2-cyclopentyl-4-(4-fluorophenyl)-7,7-dimethyl-3-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-quinolin-5-ol.
What is the SMILES notation for 2-cyclopentyl-4-(4-fluorophenyl)-7,7-dimethyl-3-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-quinolin-5-ol?
The canonical SMILES for 2-cyclopentyl-4-(4-fluorophenyl)-7,7-dimethyl-3-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-quinolin-5-ol is CC1(C)Cc2nc(C3CCCC3)c(Cc3ccc(C(F)(F)F)cc3)c(-c3ccc(F)cc3)c2C(O)C1.
What is the InChIKey of 2-cyclopentyl-4-(4-fluorophenyl)-7,7-dimethyl-3-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-quinolin-5-ol?
The InChIKey is ZGQVEAXILVUASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31F4NO/c1-29(2)16-24-27(25(36)17-29)26(19-9-13-22(31)14-10-19)23(28(35-24)20-5-3-4-6-20)15-18-7-11-21(12-8-18)30(32,33)34/h7-14,20,25,36H,3-6,15-17H2,1-2H3.
What are the key properties of 2-cyclopentyl-4-(4-fluorophenyl)-7,7-dimethyl-3-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-quinolin-5-ol?
2-cyclopentyl-4-(4-fluorophenyl)-7,7-dimethyl-3-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-quinolin-5-ol has a molecular weight of 497.58 g/mol, XLogP of 8.16, 4 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)-7,7-dimethyl-3-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-quinolin-5-ol is sourced from PubChem (CID 15391919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).