3-phenyl-4-(2-piperidin-2-ylethoxy)-6-[4-(trifluoromethoxy)phenyl]quinoline

C29H27F3N2O2 — CID 24951601

IUPAC3-phenyl-4-(2-piperidin-2-ylethoxy)-6-[4-(trifluoromethoxy)phenyl]quinoline
SMILESFC(F)(F)Oc1ccc(-c2ccc3ncc(-c4ccccc4)c(OCCC4CCCCN4)c3c2)cc1
InChIInChI=1S/C29H27F3N2O2/c30-29(31,32)36-24-12-9-20(10-13-24)22-11-14-27-25(18-22)28(35-17-15-23-8-4-5-16-33-23)26(19-34-27)21-6-2-1-3-7-21/h1-3,6-7,9-14,18-19,23,33H,4-5,8,15-17H2
InChIKeyYIQQHLOKAYYWJU-UHFFFAOYSA-N
MW492.54 g/mol
LogP7.38
Rot. Bonds7

About 3-phenyl-4-(2-piperidin-2-ylethoxy)-6-[4-(trifluoromethoxy)phenyl]quinoline

3-phenyl-4-(2-piperidin-2-ylethoxy)-6-[4-(trifluoromethoxy)phenyl]quinoline (PubChem CID 24951601) has the molecular formula C29H27F3N2O2 and a molecular weight of 492.54 g/mol. Its IUPAC name is 3-phenyl-4-(2-piperidin-2-ylethoxy)-6-[4-(trifluoromethoxy)phenyl]quinoline.

Molecular Properties

Compound Name3-phenyl-4-(2-piperidin-2-ylethoxy)-6-[4-(trifluoromethoxy)phenyl]quinoline
PubChem CID24951601
Molecular FormulaC29H27F3N2O2
Molecular Weight492.54 g/mol
Exact Mass492.20
IUPAC Name3-phenyl-4-(2-piperidin-2-ylethoxy)-6-[4-(trifluoromethoxy)phenyl]quinoline
SMILESFC(F)(F)Oc1ccc(-c2ccc3ncc(-c4ccccc4)c(OCCC4CCCCN4)c3c2)cc1
InChIInChI=1S/C29H27F3N2O2/c30-29(31,32)36-24-12-9-20(10-13-24)22-11-14-27-25(18-22)28(35-17-15-23-8-4-5-16-33-23)26(19-34-27)21-6-2-1-3-7-21/h1-3,6-7,9-14,18-19,23,33H,4-5,8,15-17H2
InChIKeyYIQQHLOKAYYWJU-UHFFFAOYSA-N
XLogP7.38
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.54
LogP ≤ 57.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-phenyl-4-(2-piperidin-2-ylethoxy)-6-[4-(trifluoromethoxy)phenyl]quinoline with MolForge

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Related Compounds

3,6-bis(4-fluorophenyl)-4-(2-piperidin-2-ylethoxy)quinoline
CID 74372586
phenyl-[4-[3-phenyl-4-(2-piperidin-2-ylethoxy)quinolin-6-yl]phenyl]methanone
CID 24955158
6-(6-methoxy-3-pyridinyl)-3-phenyl-4-(2-piperidin-2-ylethoxy)quinoline
CID 24955160
(2S)-2-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidine
CID 69002528
(2S)-2-[2-(4-phenylphenoxy)ethyl]piperidine
CID 28749943
(2S)-2-[2-(3-phenylphenoxy)ethyl]piperidine
CID 59752871
2-[2-(2-phenylphenoxy)ethyl]piperidine
CID 43149968
7-chloro-3-(3,5-dimethylphenyl)-6-(3-methylphenyl)-4-(2-piperidin-2-ylethoxy)quinoline
CID 143661136
[3-[7-chloro-6-(3-methylphenyl)-4-(2-piperidin-2-ylethoxy)quinolin-3-yl]phenyl]methanol
CID 143661146
4-[7-chloro-3-(3,5-dimethylphenyl)-4-(2-piperidin-2-ylethoxy)quinolin-6-yl]benzonitrile
CID 24955522
7-chloro-3-(3,5-dimethylphenyl)-4-[2-[(2S)-piperidin-2-yl]ethoxy]-6-pyridin-3-ylquinoline
CID 24953384
2-[7-chloro-3-(3,5-dimethylphenyl)-4-(2-piperidin-2-ylethoxy)quinolin-6-yl]aniline
CID 89271599

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4-(2-piperidin-2-ylethoxy)-6-[4-(trifluoromethoxy)phenyl]quinoline?
The IUPAC name of 3-phenyl-4-(2-piperidin-2-ylethoxy)-6-[4-(trifluoromethoxy)phenyl]quinoline (CID 24951601) is 3-phenyl-4-(2-piperidin-2-ylethoxy)-6-[4-(trifluoromethoxy)phenyl]quinoline.
What is the SMILES notation for 3-phenyl-4-(2-piperidin-2-ylethoxy)-6-[4-(trifluoromethoxy)phenyl]quinoline?
The canonical SMILES for 3-phenyl-4-(2-piperidin-2-ylethoxy)-6-[4-(trifluoromethoxy)phenyl]quinoline is FC(F)(F)Oc1ccc(-c2ccc3ncc(-c4ccccc4)c(OCCC4CCCCN4)c3c2)cc1.
What is the InChIKey of 3-phenyl-4-(2-piperidin-2-ylethoxy)-6-[4-(trifluoromethoxy)phenyl]quinoline?
The InChIKey is YIQQHLOKAYYWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F3N2O2/c30-29(31,32)36-24-12-9-20(10-13-24)22-11-14-27-25(18-22)28(35-17-15-23-8-4-5-16-33-23)26(19-34-27)21-6-2-1-3-7-21/h1-3,6-7,9-14,18-19,23,33H,4-5,8,15-17H2.
What are the key properties of 3-phenyl-4-(2-piperidin-2-ylethoxy)-6-[4-(trifluoromethoxy)phenyl]quinoline?
3-phenyl-4-(2-piperidin-2-ylethoxy)-6-[4-(trifluoromethoxy)phenyl]quinoline has a molecular weight of 492.54 g/mol, XLogP of 7.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4-(2-piperidin-2-ylethoxy)-6-[4-(trifluoromethoxy)phenyl]quinoline is sourced from PubChem (CID 24951601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).