2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-quinoxalin-2-ylphenyl)acetamide

C26H24ClN5O — CID 46917072

IUPAC2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-quinoxalin-2-ylphenyl)acetamide
SMILESO=C(CN1CCN(c2ccc(Cl)cc2)CC1)Nc1cccc(-c2cnc3ccccc3n2)c1
InChIInChI=1S/C26H24ClN5O/c27-20-8-10-22(11-9-20)32-14-12-31(13-15-32)18-26(33)29-21-5-3-4-19(16-21)25-17-28-23-6-1-2-7-24(23)30-25/h1-11,16-17H,12-15,18H2,(H,29,33)
InChIKeyFNIUNMYSUAZBAG-UHFFFAOYSA-N
MW457.97 g/mol
LogP4.71
Rot. Bonds5

About 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-quinoxalin-2-ylphenyl)acetamide

2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-quinoxalin-2-ylphenyl)acetamide (PubChem CID 46917072) has the molecular formula C26H24ClN5O and a molecular weight of 457.97 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-quinoxalin-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-quinoxalin-2-ylphenyl)acetamide
PubChem CID46917072
Molecular FormulaC26H24ClN5O
Molecular Weight457.97 g/mol
Exact Mass457.17
IUPAC Name2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-quinoxalin-2-ylphenyl)acetamide
SMILESO=C(CN1CCN(c2ccc(Cl)cc2)CC1)Nc1cccc(-c2cnc3ccccc3n2)c1
InChIInChI=1S/C26H24ClN5O/c27-20-8-10-22(11-9-20)32-14-12-31(13-15-32)18-26(33)29-21-5-3-4-19(16-21)25-17-28-23-6-1-2-7-24(23)30-25/h1-11,16-17H,12-15,18H2,(H,29,33)
InChIKeyFNIUNMYSUAZBAG-UHFFFAOYSA-N
XLogP4.71
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.97
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-quinoxalin-2-ylphenyl)acetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-quinoxalin-2-ylphenyl)acetamide (CID 46917072) is 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-quinoxalin-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-quinoxalin-2-ylphenyl)acetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-quinoxalin-2-ylphenyl)acetamide is O=C(CN1CCN(c2ccc(Cl)cc2)CC1)Nc1cccc(-c2cnc3ccccc3n2)c1.
What is the InChIKey of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-quinoxalin-2-ylphenyl)acetamide?
The InChIKey is FNIUNMYSUAZBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN5O/c27-20-8-10-22(11-9-20)32-14-12-31(13-15-32)18-26(33)29-21-5-3-4-19(16-21)25-17-28-23-6-1-2-7-24(23)30-25/h1-11,16-17H,12-15,18H2,(H,29,33).
What are the key properties of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-quinoxalin-2-ylphenyl)acetamide?
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-quinoxalin-2-ylphenyl)acetamide has a molecular weight of 457.97 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-quinoxalin-2-ylphenyl)acetamide is sourced from PubChem (CID 46917072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).