2-(2,4-dichlorophenoxy)-N-(4-methyl-2-piperazin-1-ylquinolin-6-yl)acetamide

C22H22Cl2N4O2 — CID 10388797

IUPAC2-(2,4-dichlorophenoxy)-N-(4-methyl-2-piperazin-1-ylquinolin-6-yl)acetamide
SMILESCc1cc(N2CCNCC2)nc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc12
InChIInChI=1S/C22H22Cl2N4O2/c1-14-10-21(28-8-6-25-7-9-28)27-19-4-3-16(12-17(14)19)26-22(29)13-30-20-5-2-15(23)11-18(20)24/h2-5,10-12,25H,6-9,13H2,1H3,(H,26,29)
InChIKeyGALAIUNXQRYFIW-UHFFFAOYSA-N
MW445.35 g/mol
LogP4.28
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-N-(4-methyl-2-piperazin-1-ylquinolin-6-yl)acetamide

2-(2,4-dichlorophenoxy)-N-(4-methyl-2-piperazin-1-ylquinolin-6-yl)acetamide (PubChem CID 10388797) has the molecular formula C22H22Cl2N4O2 and a molecular weight of 445.35 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(4-methyl-2-piperazin-1-ylquinolin-6-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(4-methyl-2-piperazin-1-ylquinolin-6-yl)acetamide
PubChem CID10388797
Molecular FormulaC22H22Cl2N4O2
Molecular Weight445.35 g/mol
Exact Mass444.11
IUPAC Name2-(2,4-dichlorophenoxy)-N-(4-methyl-2-piperazin-1-ylquinolin-6-yl)acetamide
SMILESCc1cc(N2CCNCC2)nc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc12
InChIInChI=1S/C22H22Cl2N4O2/c1-14-10-21(28-8-6-25-7-9-28)27-19-4-3-16(12-17(14)19)26-22(29)13-30-20-5-2-15(23)11-18(20)24/h2-5,10-12,25H,6-9,13H2,1H3,(H,26,29)
InChIKeyGALAIUNXQRYFIW-UHFFFAOYSA-N
XLogP4.28
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.35
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(4-methyl-2-piperazin-1-ylquinolin-6-yl)acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(4-methyl-2-piperazin-1-ylquinolin-6-yl)acetamide (CID 10388797) is 2-(2,4-dichlorophenoxy)-N-(4-methyl-2-piperazin-1-ylquinolin-6-yl)acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(4-methyl-2-piperazin-1-ylquinolin-6-yl)acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(4-methyl-2-piperazin-1-ylquinolin-6-yl)acetamide is Cc1cc(N2CCNCC2)nc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc12.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(4-methyl-2-piperazin-1-ylquinolin-6-yl)acetamide?
The InChIKey is GALAIUNXQRYFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N4O2/c1-14-10-21(28-8-6-25-7-9-28)27-19-4-3-16(12-17(14)19)26-22(29)13-30-20-5-2-15(23)11-18(20)24/h2-5,10-12,25H,6-9,13H2,1H3,(H,26,29).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(4-methyl-2-piperazin-1-ylquinolin-6-yl)acetamide?
2-(2,4-dichlorophenoxy)-N-(4-methyl-2-piperazin-1-ylquinolin-6-yl)acetamide has a molecular weight of 445.35 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(4-methyl-2-piperazin-1-ylquinolin-6-yl)acetamide is sourced from PubChem (CID 10388797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).