9-cyclopentyl-3,6,6-trimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-ol

C26H30F3NO2 — CID 74949143

IUPAC9-cyclopentyl-3,6,6-trimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-ol
SMILESCC1OC(c2ccc(C(F)(F)F)cc2)c2c1nc1c(c2C2CCCC2)C(O)CC(C)(C)C1
InChIInChI=1S/C26H30F3NO2/c1-14-23-22(24(32-14)16-8-10-17(11-9-16)26(27,28)29)20(15-6-4-5-7-15)21-18(30-23)12-25(2,3)13-19(21)31/h8-11,14-15,19,24,31H,4-7,12-13H2,1-3H3
InChIKeyUCSOKFMCUQKXSB-UHFFFAOYSA-N
MW445.53 g/mol
LogP6.94
Rot. Bonds2

About 9-cyclopentyl-3,6,6-trimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-ol

9-cyclopentyl-3,6,6-trimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-ol (PubChem CID 74949143) has the molecular formula C26H30F3NO2 and a molecular weight of 445.53 g/mol. Its IUPAC name is 9-cyclopentyl-3,6,6-trimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-ol.

Molecular Properties

Compound Name9-cyclopentyl-3,6,6-trimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-ol
PubChem CID74949143
Molecular FormulaC26H30F3NO2
Molecular Weight445.53 g/mol
Exact Mass445.22
IUPAC Name9-cyclopentyl-3,6,6-trimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-ol
SMILESCC1OC(c2ccc(C(F)(F)F)cc2)c2c1nc1c(c2C2CCCC2)C(O)CC(C)(C)C1
InChIInChI=1S/C26H30F3NO2/c1-14-23-22(24(32-14)16-8-10-17(11-9-16)26(27,28)29)20(15-6-4-5-7-15)21-18(30-23)12-25(2,3)13-19(21)31/h8-11,14-15,19,24,31H,4-7,12-13H2,1-3H3
InChIKeyUCSOKFMCUQKXSB-UHFFFAOYSA-N
XLogP6.94
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.53
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-cyclopentyl-3,6,6-trimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-ol with MolForge

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Related Compounds

(8S)-9-cyclopentyl-3,6,6-trimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-ol;methylsulfanylethane;propane
CID 143858540
[(5S)-4-cyclohexyl-2-cyclopentyl-5-hydroxy-7,7-dimethyl-6,8-dihydro-5H-quinolin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 46880281
4-cyclopentyl-3-[hydroxy-[4-(trifluoromethyl)phenyl]methyl]-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-5-ol
CID 72571160
(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)-7,7-dimethyl-3-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-quinolin-5-ol
CID 15391919
(5S)-4-cyclohexyl-2-cyclopentyl-3-[(S)-[4-(1,1-difluoroethyl)phenyl]-fluoromethyl]-7,7-dimethyl-6,8-dihydro-5H-quinolin-5-ol
CID 122498147
(3R,9S)-4-cyclopentyl-7,7-dimethyl-3-[3-(trifluoromethyl)phenyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-9-ol
CID 71275261
4-cyclopentyl-3-[hydroxy-[4-(trifluoromethyl)phenyl]methyl]-7,7-dimethyl-2-prop-1-en-2-yl-6,8-dihydro-5H-quinolin-5-ol;2-methylbutane
CID 143858516
(5S)-3-[(R)-hydroxy-[4-(trifluoromethyl)phenyl]methyl]-4-iodo-7,7-dimethyl-2-(oxan-4-yl)-6,8-dihydro-5H-quinolin-5-ol
CID 162560749
(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
tert-butyl-[(8S)-9-cyclopentyl-6,6-dimethyl-1-[4-(trifluoromethyl)phenyl]spiro[1,5,7,8-tetrahydrofuro[3,4-b]quinoline-3,1'-cyclohexane]-8-yl]oxy-dimethylsilane
CID 58119722

Frequently Asked Questions

What is the IUPAC name of 9-cyclopentyl-3,6,6-trimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-ol?
The IUPAC name of 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) is 9-cyclopentyl-3,6,6-trimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-ol.
What is the SMILES notation for 9-cyclopentyl-3,6,6-trimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-ol?
The canonical SMILES for 9-cyclopentyl-3,6,6-trimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-ol is CC1OC(c2ccc(C(F)(F)F)cc2)c2c1nc1c(c2C2CCCC2)C(O)CC(C)(C)C1.
What is the InChIKey of 9-cyclopentyl-3,6,6-trimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-ol?
The InChIKey is UCSOKFMCUQKXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F3NO2/c1-14-23-22(24(32-14)16-8-10-17(11-9-16)26(27,28)29)20(15-6-4-5-7-15)21-18(30-23)12-25(2,3)13-19(21)31/h8-11,14-15,19,24,31H,4-7,12-13H2,1-3H3.
What are the key properties of 9-cyclopentyl-3,6,6-trimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-ol?
9-cyclopentyl-3,6,6-trimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-ol has a molecular weight of 445.53 g/mol, XLogP of 6.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopentyl-3,6,6-trimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-ol is sourced from PubChem (CID 74949143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).