2-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide

C24H27ClN4O2 — CID 6621104

IUPAC2-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide
SMILESCCN1CCN(c2cc(C)c3cc(NC(=O)COc4ccc(Cl)cc4)ccc3n2)CC1
InChIInChI=1S/C24H27ClN4O2/c1-3-28-10-12-29(13-11-28)23-14-17(2)21-15-19(6-9-22(21)27-23)26-24(30)16-31-20-7-4-18(25)5-8-20/h4-9,14-15H,3,10-13,16H2,1-2H3,(H,26,30)
InChIKeyUUCCOLYYQJSQJL-UHFFFAOYSA-N
MW438.96 g/mol
LogP4.36
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide

2-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide (PubChem CID 6621104) has the molecular formula C24H27ClN4O2 and a molecular weight of 438.96 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide
PubChem CID6621104
Molecular FormulaC24H27ClN4O2
Molecular Weight438.96 g/mol
Exact Mass438.18
IUPAC Name2-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide
SMILESCCN1CCN(c2cc(C)c3cc(NC(=O)COc4ccc(Cl)cc4)ccc3n2)CC1
InChIInChI=1S/C24H27ClN4O2/c1-3-28-10-12-29(13-11-28)23-14-17(2)21-15-19(6-9-22(21)27-23)26-24(30)16-31-20-7-4-18(25)5-8-20/h4-9,14-15H,3,10-13,16H2,1-2H3,(H,26,30)
InChIKeyUUCCOLYYQJSQJL-UHFFFAOYSA-N
XLogP4.36
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.96
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methylquinazolin-6-yl)-2-(4-(trifluoromethyl)phenoxy)acetamide
CID 11155432
2-(4-methoxyphenoxy)-N-(4-methyl-2-(pyrrolidin-1-yl)quinazolin-6-yl)acetamide
CID 11440762
2-(4-chlorophenoxy)-N-(4-methyl-2-(pyrrolidin-1-yl)quinazolin-6-yl)acetamide
CID 11452268
2-(2,4-Dichloro-phenoxy)-N-[2-(2-dimethylamino-ethoxy)-4-methyl-quinolin-6-yl]-acetamide
CID 11539632
N-(4-methyl-2-(2-(piperidin-1-yl)ethylamino)quinolin-6-yl)-2-(4-(trifluoromethoxy)phenoxy)acetamide
CID 44407944
1-(2-Ethoxyphenyl)-3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]urea
CID 16023475
N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-4-oxochromene-2-carboxamide
CID 44403736
(2E)-N-[2-(4-Ethylpiperazin-1-YL)-4-methylquinolin-6-YL]-3-(4-methoxyphenyl)prop-2-enamide
CID 44403742
2-(2-chlorophenoxy)-N-(4-methyl-2-(pyrrolidin-1-yl)quinazolin-6-yl)acetamide
CID 11440885
N-(4-Methyl-2-piperidin-1-yl-quinolin-6-yl)-2-(4-trifluoromethoxy-phenoxy)-acetamide
CID 11705240
2-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-2,6-diamine
CID 24805875
2-(2,4-Dichlorophenoxy)-N-[4-methyl-2-(piperidin-1-YL)quinolin-6-YL]acetamide
CID 3611477

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide (CID 6621104) is 2-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide is CCN1CCN(c2cc(C)c3cc(NC(=O)COc4ccc(Cl)cc4)ccc3n2)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide?
The InChIKey is UUCCOLYYQJSQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O2/c1-3-28-10-12-29(13-11-28)23-14-17(2)21-15-19(6-9-22(21)27-23)26-24(30)16-31-20-7-4-18(25)5-8-20/h4-9,14-15H,3,10-13,16H2,1-2H3,(H,26,30).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide?
2-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide has a molecular weight of 438.96 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide is sourced from PubChem (CID 6621104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).