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

C29H30F3NOS — CID 142825389

IUPAC2-cyclopentyl-4-thiophen-2-yl-3-[[4-(trifluoromethyl)phenyl]methyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-5-ol
SMILESOC1CC2(CCC2)Cc2nc(C3CCCC3)c(Cc3ccc(C(F)(F)F)cc3)c(-c3cccs3)c21
InChIInChI=1S/C29H30F3NOS/c30-29(31,32)20-10-8-18(9-11-20)15-21-25(24-7-3-14-35-24)26-22(33-27(21)19-5-1-2-6-19)16-28(12-4-13-28)17-23(26)34/h3,7-11,14,19,23,34H,1-2,4-6,12-13,15-17H2
InChIKeyLSBMPLBXQNHGKP-UHFFFAOYSA-N
MW497.63 g/mol
LogP8.23
Rot. Bonds4

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

2-cyclopentyl-4-thiophen-2-yl-3-[[4-(trifluoromethyl)phenyl]methyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-5-ol (PubChem CID 142825389) has the molecular formula C29H30F3NOS and a molecular weight of 497.63 g/mol. Its IUPAC name is 2-cyclopentyl-4-thiophen-2-yl-3-[[4-(trifluoromethyl)phenyl]methyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-5-ol.

Molecular Properties

Compound Name2-cyclopentyl-4-thiophen-2-yl-3-[[4-(trifluoromethyl)phenyl]methyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-5-ol
PubChem CID142825389
Molecular FormulaC29H30F3NOS
Molecular Weight497.63 g/mol
Exact Mass497.20
IUPAC Name2-cyclopentyl-4-thiophen-2-yl-3-[[4-(trifluoromethyl)phenyl]methyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-5-ol
SMILESOC1CC2(CCC2)Cc2nc(C3CCCC3)c(Cc3ccc(C(F)(F)F)cc3)c(-c3cccs3)c21
InChIInChI=1S/C29H30F3NOS/c30-29(31,32)20-10-8-18(9-11-20)15-21-25(24-7-3-14-35-24)26-22(33-27(21)19-5-1-2-6-19)16-28(12-4-13-28)17-23(26)34/h3,7-11,14,19,23,34H,1-2,4-6,12-13,15-17H2
InChIKeyLSBMPLBXQNHGKP-UHFFFAOYSA-N
XLogP8.23
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.63
LogP ≤ 58.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyclopentyl-4-thiophen-2-yl-3-[[4-(trifluoromethyl)phenyl]methyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-5-ol with MolForge

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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-[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)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-5-ol
CID 54315414
(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
(5S)-4-cyclohexyl-2-cyclopentyl-3-[(R)-hydroxy-[4-(trifluoromethyl)phenyl]methyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-5-ol
CID 59988646
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)-7-(phenylmethoxymethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroquinolin-5-ol
CID 59950733
[(5S)-5-hydroxy-2-propan-2-yl-4-thiophen-3-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 59988670
(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
[(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(pyrimidin-5-yl)methyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-5-ol
CID 20586686

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-thiophen-2-yl-3-[[4-(trifluoromethyl)phenyl]methyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-5-ol?
The IUPAC name of 2-cyclopentyl-4-thiophen-2-yl-3-[[4-(trifluoromethyl)phenyl]methyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-5-ol (CID 142825389) is 2-cyclopentyl-4-thiophen-2-yl-3-[[4-(trifluoromethyl)phenyl]methyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-5-ol.
What is the SMILES notation for 2-cyclopentyl-4-thiophen-2-yl-3-[[4-(trifluoromethyl)phenyl]methyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-5-ol?
The canonical SMILES for 2-cyclopentyl-4-thiophen-2-yl-3-[[4-(trifluoromethyl)phenyl]methyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-5-ol is OC1CC2(CCC2)Cc2nc(C3CCCC3)c(Cc3ccc(C(F)(F)F)cc3)c(-c3cccs3)c21.
What is the InChIKey of 2-cyclopentyl-4-thiophen-2-yl-3-[[4-(trifluoromethyl)phenyl]methyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-5-ol?
The InChIKey is LSBMPLBXQNHGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F3NOS/c30-29(31,32)20-10-8-18(9-11-20)15-21-25(24-7-3-14-35-24)26-22(33-27(21)19-5-1-2-6-19)16-28(12-4-13-28)17-23(26)34/h3,7-11,14,19,23,34H,1-2,4-6,12-13,15-17H2.
What are the key properties of 2-cyclopentyl-4-thiophen-2-yl-3-[[4-(trifluoromethyl)phenyl]methyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-5-ol?
2-cyclopentyl-4-thiophen-2-yl-3-[[4-(trifluoromethyl)phenyl]methyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-5-ol has a molecular weight of 497.63 g/mol, XLogP of 8.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-thiophen-2-yl-3-[[4-(trifluoromethyl)phenyl]methyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-5-ol is sourced from PubChem (CID 142825389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).