2-[4-(4-chloro-2-fluorophenoxy)-7-methoxyquinolin-6-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]acetamide

C23H22ClFN4O4 — CID 139932141

IUPAC2-[4-(4-chloro-2-fluorophenoxy)-7-methoxyquinolin-6-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]acetamide
SMILESCOc1cc2nccc(Oc3ccc(Cl)cc3F)c2cc1CC(=O)NCCN1CCNC1=O
InChIInChI=1S/C23H22ClFN4O4/c1-32-21-13-18-16(19(4-5-26-18)33-20-3-2-15(24)12-17(20)25)10-14(21)11-22(30)27-6-8-29-9-7-28-23(29)31/h2-5,10,12-13H,6-9,11H2,1H3,(H,27,30)(H,28,31)
InChIKeyCILBXZRSSGVYOP-UHFFFAOYSA-N
MW472.90 g/mol
LogP3.51
Rot. Bonds8

About 2-[4-(4-chloro-2-fluorophenoxy)-7-methoxyquinolin-6-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]acetamide

2-[4-(4-chloro-2-fluorophenoxy)-7-methoxyquinolin-6-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]acetamide (PubChem CID 139932141) has the molecular formula C23H22ClFN4O4 and a molecular weight of 472.90 g/mol. Its IUPAC name is 2-[4-(4-chloro-2-fluorophenoxy)-7-methoxyquinolin-6-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-chloro-2-fluorophenoxy)-7-methoxyquinolin-6-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]acetamide
PubChem CID139932141
Molecular FormulaC23H22ClFN4O4
Molecular Weight472.90 g/mol
Exact Mass472.13
IUPAC Name2-[4-(4-chloro-2-fluorophenoxy)-7-methoxyquinolin-6-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]acetamide
SMILESCOc1cc2nccc(Oc3ccc(Cl)cc3F)c2cc1CC(=O)NCCN1CCNC1=O
InChIInChI=1S/C23H22ClFN4O4/c1-32-21-13-18-16(19(4-5-26-18)33-20-3-2-15(24)12-17(20)25)10-14(21)11-22(30)27-6-8-29-9-7-28-23(29)31/h2-5,10,12-13H,6-9,11H2,1H3,(H,27,30)(H,28,31)
InChIKeyCILBXZRSSGVYOP-UHFFFAOYSA-N
XLogP3.51
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.90
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-(4-chloro-2-fluorophenoxy)-7-methoxyquinolin-6-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]acetamide with MolForge

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Related Compounds

4-(4-chloro-2-fluorophenoxy)-7-methoxyquinoline-6-carboxylic acid
CID 11268045
2-[4-(3,4-dichlorophenoxy)-7-methoxyquinolin-6-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 139932135
4-amino-3-methoxy-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide
CID 89186326
2-(5-chloro-2-methoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119444817
1-[2-(3-fluoro-4-methoxyanilino)ethyl]imidazolidin-2-one
CID 43380794
2-(5-chloro-2-methoxyphenyl)-N-(2-piperidin-1-ylethyl)acetamide
CID 86990582
N-[[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]carbamothioyl]-2-(4-fluorophenyl)acetamide
CID 59791935
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide
CID 45483392
N-[2-(4-chlorophenyl)ethyl]-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]oxamide;oxamide
CID 69052259
N-[[3-fluoro-4-[6-methoxy-7-(4-piperidin-1-ylbutoxy)quinolin-4-yl]oxyphenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
CID 59791979
4-(6,7-dimethoxyquinolin-4-yl)oxy-N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-3-fluorobenzamide
CID 59598450
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 86288903

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chloro-2-fluorophenoxy)-7-methoxyquinolin-6-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]acetamide?
The IUPAC name of 2-[4-(4-chloro-2-fluorophenoxy)-7-methoxyquinolin-6-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]acetamide (CID 139932141) is 2-[4-(4-chloro-2-fluorophenoxy)-7-methoxyquinolin-6-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(4-chloro-2-fluorophenoxy)-7-methoxyquinolin-6-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[4-(4-chloro-2-fluorophenoxy)-7-methoxyquinolin-6-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]acetamide is COc1cc2nccc(Oc3ccc(Cl)cc3F)c2cc1CC(=O)NCCN1CCNC1=O.
What is the InChIKey of 2-[4-(4-chloro-2-fluorophenoxy)-7-methoxyquinolin-6-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]acetamide?
The InChIKey is CILBXZRSSGVYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN4O4/c1-32-21-13-18-16(19(4-5-26-18)33-20-3-2-15(24)12-17(20)25)10-14(21)11-22(30)27-6-8-29-9-7-28-23(29)31/h2-5,10,12-13H,6-9,11H2,1H3,(H,27,30)(H,28,31).
What are the key properties of 2-[4-(4-chloro-2-fluorophenoxy)-7-methoxyquinolin-6-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]acetamide?
2-[4-(4-chloro-2-fluorophenoxy)-7-methoxyquinolin-6-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]acetamide has a molecular weight of 472.90 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chloro-2-fluorophenoxy)-7-methoxyquinolin-6-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 139932141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).