2-(1-cyclohexa-2,4-dien-1-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol

C18H17F6NO3S — CID 20704026

IUPAC2-(1-cyclohexa-2,4-dien-1-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESO=S(=O)(C1C=CC=CC1)N1CCCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21
InChIInChI=1S/C18H17F6NO3S/c19-17(20,21)16(26,18(22,23)24)13-8-9-15-12(11-13)5-4-10-25(15)29(27,28)14-6-2-1-3-7-14/h1-3,6,8-9,11,14,26H,4-5,7,10H2
InChIKeyWQNKNJQGVINDMJ-UHFFFAOYSA-N
MW441.39 g/mol
LogP3.97
Rot. Bonds3

About 2-(1-cyclohexa-2,4-dien-1-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol

2-(1-cyclohexa-2,4-dien-1-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 20704026) has the molecular formula C18H17F6NO3S and a molecular weight of 441.39 g/mol. Its IUPAC name is 2-(1-cyclohexa-2,4-dien-1-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-(1-cyclohexa-2,4-dien-1-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID20704026
Molecular FormulaC18H17F6NO3S
Molecular Weight441.39 g/mol
Exact Mass441.08
IUPAC Name2-(1-cyclohexa-2,4-dien-1-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESO=S(=O)(C1C=CC=CC1)N1CCCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21
InChIInChI=1S/C18H17F6NO3S/c19-17(20,21)16(26,18(22,23)24)13-8-9-15-12(11-13)5-4-10-25(15)29(27,28)14-6-2-1-3-7-14/h1-3,6,8-9,11,14,26H,4-5,7,10H2
InChIKeyWQNKNJQGVINDMJ-UHFFFAOYSA-N
XLogP3.97
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.39
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-cyclohexa-2,4-dien-1-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

acetamide;acetylene;1,1,1,3,3,3-hexafluoro-2-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]propan-2-ol
CID 144805036
[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-thiophen-2-ylmethanone
CID 58857201
7-bicyclo[4.2.0]octa-1,3,5-trienyl-[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]methanone
CID 58857265
1,1,1,3,3,3-hexafluoro-2-[1-(4-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]propan-2-ol
CID 123213278
acetylene;1,1,1,3,3,3-hexafluoro-2-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]propan-2-ol;N-[(2-methyloxolan-2-yl)methyl]acetamide
CID 144805146
(2S)-1-[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-phenylpropan-1-one
CID 16659899
1-(trifluoromethylsulfonyl)-3,4-dihydro-2H-quinoline
CID 15836554
(3-chloro-2,6-difluorophenyl)-[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]methanone
CID 16661200
[(1S)-2-[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-oxo-1-phenylethyl] acetate
CID 58857267
6-bromo-1-cyclopropylsulfonyl-3,4-dihydro-2H-quinoline
CID 176658466
2-(1,3-benzodioxol-5-yl)-1-[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone
CID 58857169
acetylene;1,1,1,3,3,3-hexafluoro-2-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]propan-2-ol;N-(2-hydroxy-1-pyridin-3-ylethyl)acetamide
CID 144804978

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexa-2,4-dien-1-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-(1-cyclohexa-2,4-dien-1-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 20704026) is 2-(1-cyclohexa-2,4-dien-1-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-(1-cyclohexa-2,4-dien-1-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-(1-cyclohexa-2,4-dien-1-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol is O=S(=O)(C1C=CC=CC1)N1CCCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21.
What is the InChIKey of 2-(1-cyclohexa-2,4-dien-1-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is WQNKNJQGVINDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F6NO3S/c19-17(20,21)16(26,18(22,23)24)13-8-9-15-12(11-13)5-4-10-25(15)29(27,28)14-6-2-1-3-7-14/h1-3,6,8-9,11,14,26H,4-5,7,10H2.
What are the key properties of 2-(1-cyclohexa-2,4-dien-1-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-(1-cyclohexa-2,4-dien-1-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 441.39 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexa-2,4-dien-1-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 20704026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).