2-fluoro-4-[6-methoxy-7-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]quinolin-4-yl]oxy-N-methylaniline

C28H36FN3O3 — CID 142235117

IUPAC2-fluoro-4-[6-methoxy-7-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]quinolin-4-yl]oxy-N-methylaniline
SMILESCNc1ccc(Oc2ccnc3cc(OCCN4C(C)(C)CCCC4(C)C)c(OC)cc23)cc1F
InChIInChI=1S/C28H36FN3O3/c1-27(2)11-7-12-28(3,4)32(27)14-15-34-26-18-23-20(17-25(26)33-6)24(10-13-31-23)35-19-8-9-22(30-5)21(29)16-19/h8-10,13,16-18,30H,7,11-12,14-15H2,1-6H3
InChIKeySYNYLLKUQUFHFH-UHFFFAOYSA-N
MW481.61 g/mol
LogP6.64
Rot. Bonds8

About 2-fluoro-4-[6-methoxy-7-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]quinolin-4-yl]oxy-N-methylaniline

2-fluoro-4-[6-methoxy-7-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]quinolin-4-yl]oxy-N-methylaniline (PubChem CID 142235117) has the molecular formula C28H36FN3O3 and a molecular weight of 481.61 g/mol. Its IUPAC name is 2-fluoro-4-[6-methoxy-7-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]quinolin-4-yl]oxy-N-methylaniline.

Molecular Properties

Compound Name2-fluoro-4-[6-methoxy-7-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]quinolin-4-yl]oxy-N-methylaniline
PubChem CID142235117
Molecular FormulaC28H36FN3O3
Molecular Weight481.61 g/mol
Exact Mass481.27
IUPAC Name2-fluoro-4-[6-methoxy-7-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]quinolin-4-yl]oxy-N-methylaniline
SMILESCNc1ccc(Oc2ccnc3cc(OCCN4C(C)(C)CCCC4(C)C)c(OC)cc23)cc1F
InChIInChI=1S/C28H36FN3O3/c1-27(2)11-7-12-28(3,4)32(27)14-15-34-26-18-23-20(17-25(26)33-6)24(10-13-31-23)35-19-8-9-22(30-5)21(29)16-19/h8-10,13,16-18,30H,7,11-12,14-15H2,1-6H3
InChIKeySYNYLLKUQUFHFH-UHFFFAOYSA-N
XLogP6.64
TPSA55.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.61
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-fluoro-4-[6-methoxy-7-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]quinolin-4-yl]oxy-N-methylaniline with MolForge

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Related Compounds

2,3-difluoro-4-[6-methoxy-7-[3-(methylamino)propoxy]quinolin-4-yl]oxy-N-methylaniline
CID 168943078
N-cyclopropylformamide;N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]formamide;1,1-dimethylcyclopropane
CID 178037456
1-[2-fluoro-4-(7-methoxy-6-methylquinolin-4-yl)oxyphenyl]-3-methylurea
CID 70953580
2,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxy-N-methylaniline;2-fluoro-4-methoxypyridine-3-carbaldehyde
CID 168943045
N-cyclohexyl-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluoroanilino]-1-methylpyrazole-4-carboxamide
CID 139555505
1-(3,3-dimethylbutyl)-3-[2-fluoro-4-[7-[3-(4-hydroxypiperidin-1-yl)propoxy]-6-methoxyquinolin-4-yl]oxyphenyl]urea
CID 23022830
(E)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-1-methoxybut-1-ene-1-sulfonamide
CID 143878405
1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-3-(3,3-dimethylbutyl)urea
CID 23022829
1-[2-chloro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-(2,4-difluorophenyl)urea
CID 22667181
4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluoroaniline;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-3-(pyridin-2-ylmethyl)urea
CID 70204498
2,3-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyaniline
CID 168943014
4-(2-fluorophenoxy)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinoline
CID 141064108

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[6-methoxy-7-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]quinolin-4-yl]oxy-N-methylaniline?
The IUPAC name of 2-fluoro-4-[6-methoxy-7-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]quinolin-4-yl]oxy-N-methylaniline (CID 142235117) is 2-fluoro-4-[6-methoxy-7-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]quinolin-4-yl]oxy-N-methylaniline.
What is the SMILES notation for 2-fluoro-4-[6-methoxy-7-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]quinolin-4-yl]oxy-N-methylaniline?
The canonical SMILES for 2-fluoro-4-[6-methoxy-7-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]quinolin-4-yl]oxy-N-methylaniline is CNc1ccc(Oc2ccnc3cc(OCCN4C(C)(C)CCCC4(C)C)c(OC)cc23)cc1F.
What is the InChIKey of 2-fluoro-4-[6-methoxy-7-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]quinolin-4-yl]oxy-N-methylaniline?
The InChIKey is SYNYLLKUQUFHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36FN3O3/c1-27(2)11-7-12-28(3,4)32(27)14-15-34-26-18-23-20(17-25(26)33-6)24(10-13-31-23)35-19-8-9-22(30-5)21(29)16-19/h8-10,13,16-18,30H,7,11-12,14-15H2,1-6H3.
What are the key properties of 2-fluoro-4-[6-methoxy-7-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]quinolin-4-yl]oxy-N-methylaniline?
2-fluoro-4-[6-methoxy-7-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]quinolin-4-yl]oxy-N-methylaniline has a molecular weight of 481.61 g/mol, XLogP of 6.64, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[6-methoxy-7-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]quinolin-4-yl]oxy-N-methylaniline is sourced from PubChem (CID 142235117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).