[4-[3-(6-methoxy-3-methylquinolin-4-yl)propyl]-1-[2-(2,4,6-trifluorophenoxy)ethyl]piperidin-4-yl]methanol

C28H33F3N2O3 — CID 22470903

IUPAC[4-[3-(6-methoxy-3-methylquinolin-4-yl)propyl]-1-[2-(2,4,6-trifluorophenoxy)ethyl]piperidin-4-yl]methanol
SMILESCOc1ccc2ncc(C)c(CCCC3(CO)CCN(CCOc4c(F)cc(F)cc4F)CC3)c2c1
InChIInChI=1S/C28H33F3N2O3/c1-19-17-32-26-6-5-21(35-2)16-23(26)22(19)4-3-7-28(18-34)8-10-33(11-9-28)12-13-36-27-24(30)14-20(29)15-25(27)31/h5-6,14-17,34H,3-4,7-13,18H2,1-2H3
InChIKeyBOLQNUIAIMJCSS-UHFFFAOYSA-N
MW502.58 g/mol
LogP5.45
Rot. Bonds10

About [4-[3-(6-methoxy-3-methylquinolin-4-yl)propyl]-1-[2-(2,4,6-trifluorophenoxy)ethyl]piperidin-4-yl]methanol

[4-[3-(6-methoxy-3-methylquinolin-4-yl)propyl]-1-[2-(2,4,6-trifluorophenoxy)ethyl]piperidin-4-yl]methanol (PubChem CID 22470903) has the molecular formula C28H33F3N2O3 and a molecular weight of 502.58 g/mol. Its IUPAC name is [4-[3-(6-methoxy-3-methylquinolin-4-yl)propyl]-1-[2-(2,4,6-trifluorophenoxy)ethyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-[3-(6-methoxy-3-methylquinolin-4-yl)propyl]-1-[2-(2,4,6-trifluorophenoxy)ethyl]piperidin-4-yl]methanol
PubChem CID22470903
Molecular FormulaC28H33F3N2O3
Molecular Weight502.58 g/mol
Exact Mass502.24
IUPAC Name[4-[3-(6-methoxy-3-methylquinolin-4-yl)propyl]-1-[2-(2,4,6-trifluorophenoxy)ethyl]piperidin-4-yl]methanol
SMILESCOc1ccc2ncc(C)c(CCCC3(CO)CCN(CCOc4c(F)cc(F)cc4F)CC3)c2c1
InChIInChI=1S/C28H33F3N2O3/c1-19-17-32-26-6-5-21(35-2)16-23(26)22(19)4-3-7-28(18-34)8-10-33(11-9-28)12-13-36-27-24(30)14-20(29)15-25(27)31/h5-6,14-17,34H,3-4,7-13,18H2,1-2H3
InChIKeyBOLQNUIAIMJCSS-UHFFFAOYSA-N
XLogP5.45
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.58
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[3-(6-methoxy-3-methylquinolin-4-yl)propyl]-1-[2-(2,4,6-trifluorophenoxy)ethyl]piperidin-4-yl]methanol with MolForge

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Related Compounds

[4-[3-(6-methoxy-3-methylquinolin-4-yl)propyl]-1-[2-(3,4,5-trifluoroanilino)ethyl]piperidin-4-yl]methanol
CID 22468615
[1-[2-(3,5-difluorophenoxy)ethyl]-4-[3-[3-(fluoromethyl)-6-methoxyquinolin-4-yl]propyl]piperidin-4-yl]methanol
CID 22470597
[4-[3-[3-(fluoromethyl)-6-methoxyquinolin-4-yl]propyl]-1-[2-(3,4,5-trifluorophenoxy)ethyl]piperidin-4-yl]methanol
CID 22469985
[4-[(3R)-3-[3-(aminomethyl)-6-methoxyquinolin-4-yl]-3-fluoropropyl]-1-[2-(2,4,6-trifluorophenoxy)ethyl]piperidin-4-yl]methanol
CID 20796183
1-[2-(3,5-difluorophenoxy)ethyl]-N-hydroxy-4-[3-(6-methoxy-3-methylquinolin-4-yl)propyl]piperidine-4-carboxamide
CID 22470095
(1R)-1-(3-fluoro-6-methoxyquinolin-4-yl)-3-[4-(hydroxymethyl)-1-[3-(2,4,6-trifluorophenyl)propyl]piperidin-4-yl]propan-1-ol
CID 70019261
[4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-1-[3-(2,4,6-trifluorophenyl)prop-2-ynyl]piperidin-4-yl]methanol
CID 22470096
3-[4-(hydroxymethyl)-1-[3-(2,3,5-trifluorophenyl)propyl]piperidin-4-yl]-1-(6-methoxy-3-methylquinolin-4-yl)propan-1-ol
CID 22468580
4-[3-fluoro-3-(6-methoxy-3-methylquinolin-4-yl)propyl]-1-[2-(2,4,6-trifluorophenoxy)ethyl]piperidine-4-carboxylic acid
CID 22471400
2-[4-[3-[3-(dimethylamino)-6-methoxyquinolin-4-yl]propyl]-1-[2-(2,3,5-trifluorophenoxy)ethyl]piperidin-4-yl]acetic acid
CID 22470683
4-[3-[3-(hydroxymethyl)-6-methoxyquinolin-4-yl]propyl]-1-[2-(2,3,5-trifluorophenoxy)ethyl]piperidine-4-carboxylic acid
CID 22469843
[4-[3-[3-(fluoromethyl)-6-methoxyquinolin-4-yl]propyl]-1-[3-(2,3,5-trifluorophenyl)prop-2-ynyl]piperidin-4-yl]methanol
CID 22468413

Frequently Asked Questions

What is the IUPAC name of [4-[3-(6-methoxy-3-methylquinolin-4-yl)propyl]-1-[2-(2,4,6-trifluorophenoxy)ethyl]piperidin-4-yl]methanol?
The IUPAC name of [4-[3-(6-methoxy-3-methylquinolin-4-yl)propyl]-1-[2-(2,4,6-trifluorophenoxy)ethyl]piperidin-4-yl]methanol (CID 22470903) is [4-[3-(6-methoxy-3-methylquinolin-4-yl)propyl]-1-[2-(2,4,6-trifluorophenoxy)ethyl]piperidin-4-yl]methanol.
What is the SMILES notation for [4-[3-(6-methoxy-3-methylquinolin-4-yl)propyl]-1-[2-(2,4,6-trifluorophenoxy)ethyl]piperidin-4-yl]methanol?
The canonical SMILES for [4-[3-(6-methoxy-3-methylquinolin-4-yl)propyl]-1-[2-(2,4,6-trifluorophenoxy)ethyl]piperidin-4-yl]methanol is COc1ccc2ncc(C)c(CCCC3(CO)CCN(CCOc4c(F)cc(F)cc4F)CC3)c2c1.
What is the InChIKey of [4-[3-(6-methoxy-3-methylquinolin-4-yl)propyl]-1-[2-(2,4,6-trifluorophenoxy)ethyl]piperidin-4-yl]methanol?
The InChIKey is BOLQNUIAIMJCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33F3N2O3/c1-19-17-32-26-6-5-21(35-2)16-23(26)22(19)4-3-7-28(18-34)8-10-33(11-9-28)12-13-36-27-24(30)14-20(29)15-25(27)31/h5-6,14-17,34H,3-4,7-13,18H2,1-2H3.
What are the key properties of [4-[3-(6-methoxy-3-methylquinolin-4-yl)propyl]-1-[2-(2,4,6-trifluorophenoxy)ethyl]piperidin-4-yl]methanol?
[4-[3-(6-methoxy-3-methylquinolin-4-yl)propyl]-1-[2-(2,4,6-trifluorophenoxy)ethyl]piperidin-4-yl]methanol has a molecular weight of 502.58 g/mol, XLogP of 5.45, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(6-methoxy-3-methylquinolin-4-yl)propyl]-1-[2-(2,4,6-trifluorophenoxy)ethyl]piperidin-4-yl]methanol is sourced from PubChem (CID 22470903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).