[1-[2-[4-[4-(4-ethylanilino)-2-fluorophenoxy]-6-methoxyquinolin-7-yl]oxyethyl]piperidin-4-yl]methanol

C32H36FN3O4 — CID 142235154

IUPAC[1-[2-[4-[4-(4-ethylanilino)-2-fluorophenoxy]-6-methoxyquinolin-7-yl]oxyethyl]piperidin-4-yl]methanol
SMILESCCc1ccc(Nc2ccc(Oc3ccnc4cc(OCCN5CCC(CO)CC5)c(OC)cc34)c(F)c2)cc1
InChIInChI=1S/C32H36FN3O4/c1-3-22-4-6-24(7-5-22)35-25-8-9-30(27(33)18-25)40-29-10-13-34-28-20-32(31(38-2)19-26(28)29)39-17-16-36-14-11-23(21-37)12-15-36/h4-10,13,18-20,23,35,37H,3,11-12,14-17,21H2,1-2H3
InChIKeyIOXXOABNTZGHES-UHFFFAOYSA-N
MW545.66 g/mol
LogP6.56
Rot. Bonds11

About [1-[2-[4-[4-(4-ethylanilino)-2-fluorophenoxy]-6-methoxyquinolin-7-yl]oxyethyl]piperidin-4-yl]methanol

[1-[2-[4-[4-(4-ethylanilino)-2-fluorophenoxy]-6-methoxyquinolin-7-yl]oxyethyl]piperidin-4-yl]methanol (PubChem CID 142235154) has the molecular formula C32H36FN3O4 and a molecular weight of 545.66 g/mol. Its IUPAC name is [1-[2-[4-[4-(4-ethylanilino)-2-fluorophenoxy]-6-methoxyquinolin-7-yl]oxyethyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-[4-[4-(4-ethylanilino)-2-fluorophenoxy]-6-methoxyquinolin-7-yl]oxyethyl]piperidin-4-yl]methanol
PubChem CID142235154
Molecular FormulaC32H36FN3O4
Molecular Weight545.66 g/mol
Exact Mass545.27
IUPAC Name[1-[2-[4-[4-(4-ethylanilino)-2-fluorophenoxy]-6-methoxyquinolin-7-yl]oxyethyl]piperidin-4-yl]methanol
SMILESCCc1ccc(Nc2ccc(Oc3ccnc4cc(OCCN5CCC(CO)CC5)c(OC)cc34)c(F)c2)cc1
InChIInChI=1S/C32H36FN3O4/c1-3-22-4-6-24(7-5-22)35-25-8-9-30(27(33)18-25)40-29-10-13-34-28-20-32(31(38-2)19-26(28)29)39-17-16-36-14-11-23(21-37)12-15-36/h4-10,13,18-20,23,35,37H,3,11-12,14-17,21H2,1-2H3
InChIKeyIOXXOABNTZGHES-UHFFFAOYSA-N
XLogP6.56
TPSA76.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.66
LogP ≤ 56.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[3-fluoro-4-[7-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]-6-methoxyquinolin-4-yl]oxyphenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
CID 58249343
bicyclo[3.1.0]hexa-1(6),2,4-triene;N-carbamoyl-N-[3-fluoro-4-[7-[2-[4-(hydroxymethyl)piperidin-1-yl]ethoxy]-6-methoxyquinolin-4-yl]oxyphenyl]acetamide
CID 67194610
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-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]carbamothioyl]-2-(4-fluorophenyl)acetamide
CID 59791935
N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]formamide
CID 130443825
1-amino-3-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]thiourea
CID 118468080
2-[4-[4-(4-ethyl-2-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypiperidin-1-yl]-N-methylacetamide
CID 123232273
4-(6,7-dimethoxyquinolin-4-yl)oxy-N-ethyl-3-fluoroaniline
CID 67457884
N-[[3-fluoro-4-[6-methoxy-7-(4-piperidin-1-ylbutoxy)quinolin-4-yl]oxyphenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
CID 59791979
2,5-difluoro-N-[3-methoxy-4-[6-methoxy-7-[3-(4-methylpiperidin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]benzenesulfonamide
CID 67074639
[[3-fluoro-4-[6-methoxy-7-[3-(4-methylpiperidin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]methylideneamino]urea
CID 154290494
N'-[3-fluoro-4-[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinolin-4-yl]oxyphenyl]-N-[[4-(fluoromethyl)phenyl]methyl]oxamide
CID 118612150

Frequently Asked Questions

What is the IUPAC name of [1-[2-[4-[4-(4-ethylanilino)-2-fluorophenoxy]-6-methoxyquinolin-7-yl]oxyethyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[2-[4-[4-(4-ethylanilino)-2-fluorophenoxy]-6-methoxyquinolin-7-yl]oxyethyl]piperidin-4-yl]methanol (CID 142235154) is [1-[2-[4-[4-(4-ethylanilino)-2-fluorophenoxy]-6-methoxyquinolin-7-yl]oxyethyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[2-[4-[4-(4-ethylanilino)-2-fluorophenoxy]-6-methoxyquinolin-7-yl]oxyethyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[2-[4-[4-(4-ethylanilino)-2-fluorophenoxy]-6-methoxyquinolin-7-yl]oxyethyl]piperidin-4-yl]methanol is CCc1ccc(Nc2ccc(Oc3ccnc4cc(OCCN5CCC(CO)CC5)c(OC)cc34)c(F)c2)cc1.
What is the InChIKey of [1-[2-[4-[4-(4-ethylanilino)-2-fluorophenoxy]-6-methoxyquinolin-7-yl]oxyethyl]piperidin-4-yl]methanol?
The InChIKey is IOXXOABNTZGHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36FN3O4/c1-3-22-4-6-24(7-5-22)35-25-8-9-30(27(33)18-25)40-29-10-13-34-28-20-32(31(38-2)19-26(28)29)39-17-16-36-14-11-23(21-37)12-15-36/h4-10,13,18-20,23,35,37H,3,11-12,14-17,21H2,1-2H3.
What are the key properties of [1-[2-[4-[4-(4-ethylanilino)-2-fluorophenoxy]-6-methoxyquinolin-7-yl]oxyethyl]piperidin-4-yl]methanol?
[1-[2-[4-[4-(4-ethylanilino)-2-fluorophenoxy]-6-methoxyquinolin-7-yl]oxyethyl]piperidin-4-yl]methanol has a molecular weight of 545.66 g/mol, XLogP of 6.56, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[4-[4-(4-ethylanilino)-2-fluorophenoxy]-6-methoxyquinolin-7-yl]oxyethyl]piperidin-4-yl]methanol is sourced from PubChem (CID 142235154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).