2-[4-[4-(4-ethyl-2-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypiperidin-1-yl]-N-methylacetamide

C26H30FN3O4 — CID 123232273

IUPAC2-[4-[4-(4-ethyl-2-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypiperidin-1-yl]-N-methylacetamide
SMILESCCc1ccc(Oc2ccnc3cc(OC4CCN(CC(=O)NC)CC4)c(OC)cc23)c(F)c1
InChIInChI=1S/C26H30FN3O4/c1-4-17-5-6-23(20(27)13-17)34-22-7-10-29-21-15-25(24(32-3)14-19(21)22)33-18-8-11-30(12-9-18)16-26(31)28-2/h5-7,10,13-15,18H,4,8-9,11-12,16H2,1-3H3,(H,28,31)
InChIKeyNDYNRWGPJNWNTO-UHFFFAOYSA-N
MW467.54 g/mol
LogP4.33
Rot. Bonds8

About 2-[4-[4-(4-ethyl-2-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypiperidin-1-yl]-N-methylacetamide

2-[4-[4-(4-ethyl-2-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypiperidin-1-yl]-N-methylacetamide (PubChem CID 123232273) has the molecular formula C26H30FN3O4 and a molecular weight of 467.54 g/mol. Its IUPAC name is 2-[4-[4-(4-ethyl-2-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypiperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[4-(4-ethyl-2-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypiperidin-1-yl]-N-methylacetamide
PubChem CID123232273
Molecular FormulaC26H30FN3O4
Molecular Weight467.54 g/mol
Exact Mass467.22
IUPAC Name2-[4-[4-(4-ethyl-2-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypiperidin-1-yl]-N-methylacetamide
SMILESCCc1ccc(Oc2ccnc3cc(OC4CCN(CC(=O)NC)CC4)c(OC)cc23)c(F)c1
InChIInChI=1S/C26H30FN3O4/c1-4-17-5-6-23(20(27)13-17)34-22-7-10-29-21-15-25(24(32-3)14-19(21)22)33-18-8-11-30(12-9-18)16-26(31)28-2/h5-7,10,13-15,18H,4,8-9,11-12,16H2,1-3H3,(H,28,31)
InChIKeyNDYNRWGPJNWNTO-UHFFFAOYSA-N
XLogP4.33
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.54
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[[4-(2-fluoro-4-methylphenoxy)-6-methoxyquinolin-7-yl]oxymethyl]piperidin-1-yl]-N-methylacetamide
CID 142291674
1-N'-[3-fluoro-4-[6-methoxy-7-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]methoxy]quinolin-4-yl]oxyphenyl]-1-N-methylcyclopropane-1,1-dicarboxamide
CID 142291686
[1-[2-[4-[4-(4-ethylanilino)-2-fluorophenoxy]-6-methoxyquinolin-7-yl]oxyethyl]piperidin-4-yl]methanol
CID 142235154
N-[3-fluoro-4-[6-methoxy-7-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]methoxy]quinolin-4-yl]oxyphenyl]-1-(2-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 141375484
5-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-(4-methylcyclohexyl)-4-sulfanylidenepentan-2-one
CID 58249526
1-N'-[4-[7-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 71135876
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-[3-fluoro-4-[6-methoxy-7-[3-(4-methylpiperidin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]acetamide
CID 90646814
1-N'-[4-[7-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide
CID 71140549
N-[[3-fluoro-4-[7-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-sulfanylcarbamoyl]-2-(4-fluorophenyl)acetamide
CID 87305608
N-[[3-fluoro-4-[7-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]-6-methoxyquinolin-4-yl]oxyphenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
CID 58249343
4-(6,7-dimethoxyquinolin-4-yl)oxy-N-ethyl-3-fluoroaniline
CID 67457884
1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-[(4-methylphenyl)methylsulfonyl]urea
CID 155539894

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4-ethyl-2-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypiperidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[4-(4-ethyl-2-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypiperidin-1-yl]-N-methylacetamide (CID 123232273) is 2-[4-[4-(4-ethyl-2-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypiperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[4-(4-ethyl-2-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypiperidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[4-(4-ethyl-2-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypiperidin-1-yl]-N-methylacetamide is CCc1ccc(Oc2ccnc3cc(OC4CCN(CC(=O)NC)CC4)c(OC)cc23)c(F)c1.
What is the InChIKey of 2-[4-[4-(4-ethyl-2-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypiperidin-1-yl]-N-methylacetamide?
The InChIKey is NDYNRWGPJNWNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O4/c1-4-17-5-6-23(20(27)13-17)34-22-7-10-29-21-15-25(24(32-3)14-19(21)22)33-18-8-11-30(12-9-18)16-26(31)28-2/h5-7,10,13-15,18H,4,8-9,11-12,16H2,1-3H3,(H,28,31).
What are the key properties of 2-[4-[4-(4-ethyl-2-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypiperidin-1-yl]-N-methylacetamide?
2-[4-[4-(4-ethyl-2-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypiperidin-1-yl]-N-methylacetamide has a molecular weight of 467.54 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-ethyl-2-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypiperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 123232273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).