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

C30H38F3NO — CID 46880460

IUPAC(5S)-4-cyclohexyl-2-cyclopentyl-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(C3CCCCC3)c2[C@@H](O)C1
InChIInChI=1S/C30H38F3NO/c1-29(2)17-24-27(25(35)18-29)26(20-8-4-3-5-9-20)23(28(34-24)21-10-6-7-11-21)16-19-12-14-22(15-13-19)30(31,32)33/h12-15,20-21,25,35H,3-11,16-18H2,1-2H3/t25-/m0/s1
InChIKeyBBGDZXUCEYOTHB-VWLOTQADSA-N
MW485.63 g/mol
LogP8.40
Rot. Bonds4

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

(5S)-4-cyclohexyl-2-cyclopentyl-7,7-dimethyl-3-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-quinolin-5-ol (PubChem CID 46880460) has the molecular formula C30H38F3NO and a molecular weight of 485.63 g/mol. Its IUPAC name is (5S)-4-cyclohexyl-2-cyclopentyl-7,7-dimethyl-3-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-quinolin-5-ol.

Molecular Properties

Compound Name(5S)-4-cyclohexyl-2-cyclopentyl-7,7-dimethyl-3-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-quinolin-5-ol
PubChem CID46880460
Molecular FormulaC30H38F3NO
Molecular Weight485.63 g/mol
Exact Mass485.29
IUPAC Name(5S)-4-cyclohexyl-2-cyclopentyl-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(C3CCCCC3)c2[C@@H](O)C1
InChIInChI=1S/C30H38F3NO/c1-29(2)17-24-27(25(35)18-29)26(20-8-4-3-5-9-20)23(28(34-24)21-10-6-7-11-21)16-19-12-14-22(15-13-19)30(31,32)33/h12-15,20-21,25,35H,3-11,16-18H2,1-2H3/t25-/m0/s1
InChIKeyBBGDZXUCEYOTHB-VWLOTQADSA-N
XLogP8.40
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.63
LogP ≤ 58.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-4-cyclohexyl-2-cyclopentyl-7,7-dimethyl-3-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-quinolin-5-ol?
The IUPAC name of (5S)-4-cyclohexyl-2-cyclopentyl-7,7-dimethyl-3-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-quinolin-5-ol (CID 46880460) is (5S)-4-cyclohexyl-2-cyclopentyl-7,7-dimethyl-3-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-quinolin-5-ol.
What is the SMILES notation for (5S)-4-cyclohexyl-2-cyclopentyl-7,7-dimethyl-3-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-quinolin-5-ol?
The canonical SMILES for (5S)-4-cyclohexyl-2-cyclopentyl-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(C3CCCCC3)c2[C@@H](O)C1.
What is the InChIKey of (5S)-4-cyclohexyl-2-cyclopentyl-7,7-dimethyl-3-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-quinolin-5-ol?
The InChIKey is BBGDZXUCEYOTHB-VWLOTQADSA-N. The full InChI is InChI=1S/C30H38F3NO/c1-29(2)17-24-27(25(35)18-29)26(20-8-4-3-5-9-20)23(28(34-24)21-10-6-7-11-21)16-19-12-14-22(15-13-19)30(31,32)33/h12-15,20-21,25,35H,3-11,16-18H2,1-2H3/t25-/m0/s1.
What are the key properties of (5S)-4-cyclohexyl-2-cyclopentyl-7,7-dimethyl-3-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-quinolin-5-ol?
(5S)-4-cyclohexyl-2-cyclopentyl-7,7-dimethyl-3-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-quinolin-5-ol has a molecular weight of 485.63 g/mol, XLogP of 8.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4-cyclohexyl-2-cyclopentyl-7,7-dimethyl-3-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-quinolin-5-ol is sourced from PubChem (CID 46880460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).