[1-[2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl] N-[2-(2,5-difluorophenyl)ethenyl]carbamate

C26H27F2N3O3 — CID 68569352

IUPAC[1-[2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl] N-[2-(2,5-difluorophenyl)ethenyl]carbamate
SMILESCOc1ccc2nccc(CCN3CCC(OC(=O)NC=Cc4cc(F)ccc4F)CC3)c2c1
InChIInChI=1S/C26H27F2N3O3/c1-33-22-3-5-25-23(17-22)18(6-11-29-25)8-13-31-14-9-21(10-15-31)34-26(32)30-12-7-19-16-20(27)2-4-24(19)28/h2-7,11-12,16-17,21H,8-10,13-15H2,1H3,(H,30,32)
InChIKeyHSWWASXGFUWZMX-UHFFFAOYSA-N
MW467.52 g/mol
LogP4.93
Rot. Bonds7

About [1-[2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl] N-[2-(2,5-difluorophenyl)ethenyl]carbamate

[1-[2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl] N-[2-(2,5-difluorophenyl)ethenyl]carbamate (PubChem CID 68569352) has the molecular formula C26H27F2N3O3 and a molecular weight of 467.52 g/mol. Its IUPAC name is [1-[2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl] N-[2-(2,5-difluorophenyl)ethenyl]carbamate.

Molecular Properties

Compound Name[1-[2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl] N-[2-(2,5-difluorophenyl)ethenyl]carbamate
PubChem CID68569352
Molecular FormulaC26H27F2N3O3
Molecular Weight467.52 g/mol
Exact Mass467.20
IUPAC Name[1-[2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl] N-[2-(2,5-difluorophenyl)ethenyl]carbamate
SMILESCOc1ccc2nccc(CCN3CCC(OC(=O)NC=Cc4cc(F)ccc4F)CC3)c2c1
InChIInChI=1S/C26H27F2N3O3/c1-33-22-3-5-25-23(17-22)18(6-11-29-25)8-13-31-14-9-21(10-15-31)34-26(32)30-12-7-19-16-20(27)2-4-24(19)28/h2-7,11-12,16-17,21H,8-10,13-15H2,1H3,(H,30,32)
InChIKeyHSWWASXGFUWZMX-UHFFFAOYSA-N
XLogP4.93
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl] N-[2-(2,5-difluorophenyl)ethenyl]carbamate 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

N-[2-(2,5-difluorophenyl)ethenyl]-1-[2-(6-methoxyquinolin-4-yl)ethyl]piperidine-4-carboxamide
CID 66921350
methyl 1-[(E)-3-(2,5-difluorophenyl)prop-2-enyl]-3-[2-(6-methoxyquinolin-4-yl)ethylamino]pyrrolidine-3-carboxylate
CID 11352113
2-[(2R,3R,6R)-3-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]-6-[2-(6-methoxyquinolin-4-yl)ethyl]oxan-2-yl]acetic acid;dihydrochloride
CID 69184699
2-[(3R,4R)-1-[4-(4-fluorophenyl)butyl]-4-[3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]acetic acid
CID 70175251
N-[2-(6-methoxyquinolin-4-yl)ethyl]cyclopropanecarboxamide
CID 19709964
4-[[[(E)-but-2-enyl]amino]methyl]-1-[2-(6-methoxyquinolin-4-yl)ethyl]pyrrolidin-3-ol
CID 143159693
amino 3-fluoro-4-hydroxy-2-[(6-methoxyquinolin-4-yl)methyl]piperidine-1-carboxylate
CID 141328371
3-(6-methoxyquinolin-4-yl)propanal
CID 10751165
3-[(3R,4R)-1-[3-(3,4-difluorophenyl)prop-2-ynyl]-4-[3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]propanoic acid
CID 70174983
3-[1-[3-(3,4-difluorophenyl)prop-2-ynyl]-4-[3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]propanoic acid
CID 22454965
tert-butyl N-[(2R,3R,6R)-2-(2-amino-2-oxoethyl)-6-[2-(6-methoxyquinolin-4-yl)ethyl]oxan-3-yl]-N-[(E)-3-(2,5-difluorophenyl)prop-2-enyl]carbamate
CID 88546190
(3R,4R)-1-[3-(4-fluorophenyl)propyl]-4-[3-hydroxy-3-(6-methoxyquinolin-4-yl)propyl]piperidine-3-carboxylic acid
CID 70172353

Frequently Asked Questions

What is the IUPAC name of [1-[2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl] N-[2-(2,5-difluorophenyl)ethenyl]carbamate?
The IUPAC name of [1-[2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl] N-[2-(2,5-difluorophenyl)ethenyl]carbamate (CID 68569352) is [1-[2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl] N-[2-(2,5-difluorophenyl)ethenyl]carbamate.
What is the SMILES notation for [1-[2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl] N-[2-(2,5-difluorophenyl)ethenyl]carbamate?
The canonical SMILES for [1-[2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl] N-[2-(2,5-difluorophenyl)ethenyl]carbamate is COc1ccc2nccc(CCN3CCC(OC(=O)NC=Cc4cc(F)ccc4F)CC3)c2c1.
What is the InChIKey of [1-[2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl] N-[2-(2,5-difluorophenyl)ethenyl]carbamate?
The InChIKey is HSWWASXGFUWZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2N3O3/c1-33-22-3-5-25-23(17-22)18(6-11-29-25)8-13-31-14-9-21(10-15-31)34-26(32)30-12-7-19-16-20(27)2-4-24(19)28/h2-7,11-12,16-17,21H,8-10,13-15H2,1H3,(H,30,32).
What are the key properties of [1-[2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl] N-[2-(2,5-difluorophenyl)ethenyl]carbamate?
[1-[2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl] N-[2-(2,5-difluorophenyl)ethenyl]carbamate has a molecular weight of 467.52 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl] N-[2-(2,5-difluorophenyl)ethenyl]carbamate is sourced from PubChem (CID 68569352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).