7-benzyl-2-cyclopentyl-4-(4-fluorophenyl)-5,6,7,8-tetrahydroquinolin-5-ol

C27H28FNO — CID 54239291

IUPAC7-benzyl-2-cyclopentyl-4-(4-fluorophenyl)-5,6,7,8-tetrahydroquinolin-5-ol
SMILESOC1CC(Cc2ccccc2)Cc2nc(C3CCCC3)cc(-c3ccc(F)cc3)c21
InChIInChI=1S/C27H28FNO/c28-22-12-10-20(11-13-22)23-17-24(21-8-4-5-9-21)29-25-15-19(16-26(30)27(23)25)14-18-6-2-1-3-7-18/h1-3,6-7,10-13,17,19,21,26,30H,4-5,8-9,14-16H2
InChIKeyQOVXBJWOUUOBMW-UHFFFAOYSA-N
MW401.53 g/mol
LogP6.38
Rot. Bonds4

About 7-benzyl-2-cyclopentyl-4-(4-fluorophenyl)-5,6,7,8-tetrahydroquinolin-5-ol

7-benzyl-2-cyclopentyl-4-(4-fluorophenyl)-5,6,7,8-tetrahydroquinolin-5-ol (PubChem CID 54239291) has the molecular formula C27H28FNO and a molecular weight of 401.53 g/mol. Its IUPAC name is 7-benzyl-2-cyclopentyl-4-(4-fluorophenyl)-5,6,7,8-tetrahydroquinolin-5-ol.

Molecular Properties

Compound Name7-benzyl-2-cyclopentyl-4-(4-fluorophenyl)-5,6,7,8-tetrahydroquinolin-5-ol
PubChem CID54239291
Molecular FormulaC27H28FNO
Molecular Weight401.53 g/mol
Exact Mass401.22
IUPAC Name7-benzyl-2-cyclopentyl-4-(4-fluorophenyl)-5,6,7,8-tetrahydroquinolin-5-ol
SMILESOC1CC(Cc2ccccc2)Cc2nc(C3CCCC3)cc(-c3ccc(F)cc3)c21
InChIInChI=1S/C27H28FNO/c28-22-12-10-20(11-13-22)23-17-24(21-8-4-5-9-21)29-25-15-19(16-26(30)27(23)25)14-18-6-2-1-3-7-18/h1-3,6-7,10-13,17,19,21,26,30H,4-5,8-9,14-16H2
InChIKeyQOVXBJWOUUOBMW-UHFFFAOYSA-N
XLogP6.38
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.53
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-benzyl-2-cyclopentyl-4-(4-fluorophenyl)-5,6,7,8-tetrahydroquinolin-5-ol with MolForge

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Related Compounds

Bay-60-5521
CID 11691871
CID 46880878
CID 46880878
1-Acridinol, 1,2,3,4-tetrahydro-9-amino-6-fluoro-
CID 3025607
2-Phenylethynyl-5,6,7,8-tetrahydro-quinolin-5-ol
CID 24777189
(+)-(1R)-1-[4-(4-fluorophenyl)-2,6-diisopropyl-5-propylpyridin-3-yl]ethanol
CID 9906120
(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
[6-Fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinolin-4-yl]methanol
CID 10338613
(+)-2,6-Diisopropyl-3-(1-hydroxyethyl)-4-(4-fluorophenyl)-5-propylpyridine
CID 11186974
(S)-4-cyclohexyl-3-((S)-fluoro(4-(trifluoromethyl)phenyl)methyl)-2-isopropyl-7,7-dimethyl-5,6,7,8-tetrahydroquinolin-5-ol
CID 11554734
1-[4-(4-Fluoro-phenyl)-2,6-diisopropyl-5-pentyl-pyridin-3-yl]-ethanol
CID 22004872
[5-Ethyl-4-(4-fluoro-phenyl)-2,6-diisopropyl-pyridin-3-yl]-methanol
CID 22004918
2,6-Diisopropyl-3-hydroxymethyl-4-(4-fluorophenyl)-5-pentylpyridine
CID 22004955

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-2-cyclopentyl-4-(4-fluorophenyl)-5,6,7,8-tetrahydroquinolin-5-ol?
The IUPAC name of 7-benzyl-2-cyclopentyl-4-(4-fluorophenyl)-5,6,7,8-tetrahydroquinolin-5-ol (CID 54239291) is 7-benzyl-2-cyclopentyl-4-(4-fluorophenyl)-5,6,7,8-tetrahydroquinolin-5-ol.
What is the SMILES notation for 7-benzyl-2-cyclopentyl-4-(4-fluorophenyl)-5,6,7,8-tetrahydroquinolin-5-ol?
The canonical SMILES for 7-benzyl-2-cyclopentyl-4-(4-fluorophenyl)-5,6,7,8-tetrahydroquinolin-5-ol is OC1CC(Cc2ccccc2)Cc2nc(C3CCCC3)cc(-c3ccc(F)cc3)c21.
What is the InChIKey of 7-benzyl-2-cyclopentyl-4-(4-fluorophenyl)-5,6,7,8-tetrahydroquinolin-5-ol?
The InChIKey is QOVXBJWOUUOBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FNO/c28-22-12-10-20(11-13-22)23-17-24(21-8-4-5-9-21)29-25-15-19(16-26(30)27(23)25)14-18-6-2-1-3-7-18/h1-3,6-7,10-13,17,19,21,26,30H,4-5,8-9,14-16H2.
What are the key properties of 7-benzyl-2-cyclopentyl-4-(4-fluorophenyl)-5,6,7,8-tetrahydroquinolin-5-ol?
7-benzyl-2-cyclopentyl-4-(4-fluorophenyl)-5,6,7,8-tetrahydroquinolin-5-ol has a molecular weight of 401.53 g/mol, XLogP of 6.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-2-cyclopentyl-4-(4-fluorophenyl)-5,6,7,8-tetrahydroquinolin-5-ol is sourced from PubChem (CID 54239291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).