2-[4-[[4-(2-fluoro-4-methylphenoxy)-6-methoxyquinolin-7-yl]oxymethyl]piperidin-1-yl]-N-methylacetamide

C26H30FN3O4 — CID 142291674

IUPAC2-[4-[[4-(2-fluoro-4-methylphenoxy)-6-methoxyquinolin-7-yl]oxymethyl]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(COc2cc3nccc(Oc4ccc(C)cc4F)c3cc2OC)CC1
InChIInChI=1S/C26H30FN3O4/c1-17-4-5-23(20(27)12-17)34-22-6-9-29-21-14-25(24(32-3)13-19(21)22)33-16-18-7-10-30(11-8-18)15-26(31)28-2/h4-6,9,12-14,18H,7-8,10-11,15-16H2,1-3H3,(H,28,31)
InChIKeyMAWGHVLEZZMNJN-UHFFFAOYSA-N
MW467.54 g/mol
LogP4.32
Rot. Bonds8

About 2-[4-[[4-(2-fluoro-4-methylphenoxy)-6-methoxyquinolin-7-yl]oxymethyl]piperidin-1-yl]-N-methylacetamide

2-[4-[[4-(2-fluoro-4-methylphenoxy)-6-methoxyquinolin-7-yl]oxymethyl]piperidin-1-yl]-N-methylacetamide (PubChem CID 142291674) has the molecular formula C26H30FN3O4 and a molecular weight of 467.54 g/mol. Its IUPAC name is 2-[4-[[4-(2-fluoro-4-methylphenoxy)-6-methoxyquinolin-7-yl]oxymethyl]piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[[4-(2-fluoro-4-methylphenoxy)-6-methoxyquinolin-7-yl]oxymethyl]piperidin-1-yl]-N-methylacetamide
PubChem CID142291674
Molecular FormulaC26H30FN3O4
Molecular Weight467.54 g/mol
Exact Mass467.22
IUPAC Name2-[4-[[4-(2-fluoro-4-methylphenoxy)-6-methoxyquinolin-7-yl]oxymethyl]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(COc2cc3nccc(Oc4ccc(C)cc4F)c3cc2OC)CC1
InChIInChI=1S/C26H30FN3O4/c1-17-4-5-23(20(27)12-17)34-22-6-9-29-21-14-25(24(32-3)13-19(21)22)33-16-18-7-10-30(11-8-18)15-26(31)28-2/h4-6,9,12-14,18H,7-8,10-11,15-16H2,1-3H3,(H,28,31)
InChIKeyMAWGHVLEZZMNJN-UHFFFAOYSA-N
XLogP4.32
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 ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[4-(2-fluoro-4-methylphenoxy)-6-methoxyquinolin-7-yl]oxymethyl]piperidin-1-yl]-N-methylacetamide with MolForge

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Related Compounds

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
2-[4-[4-(4-ethyl-2-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypiperidin-1-yl]-N-methylacetamide
CID 123232273
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
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
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
3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyaniline
CID 67519530
4-(2-fluoro-4-nitrosophenoxy)-6-methoxy-7-(piperidin-4-ylmethoxy)quinoline
CID 89303527
tert-butyl 4-[[4-[2-fluoro-4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-6-methoxyquinolin-7-yl]oxymethyl]piperidine-1-carboxylate
CID 90315211
N'-[3-fluoro-4-[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinolin-4-yl]oxyphenyl]-N-[[4-(fluoromethyl)phenyl]methyl]oxamide
CID 118612150
N'-[3-fluoro-4-[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinolin-4-yl]oxyphenyl]-N'-(2-phenylethyl)oxamide
CID 66677912
N'-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-[2-(3-methylphenyl)ethyl]oxamide
CID 58830571
1-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-(4-methylphenyl)urea
CID 141472646

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(2-fluoro-4-methylphenoxy)-6-methoxyquinolin-7-yl]oxymethyl]piperidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[[4-(2-fluoro-4-methylphenoxy)-6-methoxyquinolin-7-yl]oxymethyl]piperidin-1-yl]-N-methylacetamide (CID 142291674) is 2-[4-[[4-(2-fluoro-4-methylphenoxy)-6-methoxyquinolin-7-yl]oxymethyl]piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[[4-(2-fluoro-4-methylphenoxy)-6-methoxyquinolin-7-yl]oxymethyl]piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[[4-(2-fluoro-4-methylphenoxy)-6-methoxyquinolin-7-yl]oxymethyl]piperidin-1-yl]-N-methylacetamide is CNC(=O)CN1CCC(COc2cc3nccc(Oc4ccc(C)cc4F)c3cc2OC)CC1.
What is the InChIKey of 2-[4-[[4-(2-fluoro-4-methylphenoxy)-6-methoxyquinolin-7-yl]oxymethyl]piperidin-1-yl]-N-methylacetamide?
The InChIKey is MAWGHVLEZZMNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O4/c1-17-4-5-23(20(27)12-17)34-22-6-9-29-21-14-25(24(32-3)13-19(21)22)33-16-18-7-10-30(11-8-18)15-26(31)28-2/h4-6,9,12-14,18H,7-8,10-11,15-16H2,1-3H3,(H,28,31).
What are the key properties of 2-[4-[[4-(2-fluoro-4-methylphenoxy)-6-methoxyquinolin-7-yl]oxymethyl]piperidin-1-yl]-N-methylacetamide?
2-[4-[[4-(2-fluoro-4-methylphenoxy)-6-methoxyquinolin-7-yl]oxymethyl]piperidin-1-yl]-N-methylacetamide has a molecular weight of 467.54 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(2-fluoro-4-methylphenoxy)-6-methoxyquinolin-7-yl]oxymethyl]piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 142291674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).