N-(2-chlorophenyl)-2-[4-(quinoxaline-6-carbonyl)piperazin-1-yl]acetamide

C21H20ClN5O2 — CID 9020752

IUPACN-(2-chlorophenyl)-2-[4-(quinoxaline-6-carbonyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2ccc3nccnc3c2)CC1)Nc1ccccc1Cl
InChIInChI=1S/C21H20ClN5O2/c22-16-3-1-2-4-17(16)25-20(28)14-26-9-11-27(12-10-26)21(29)15-5-6-18-19(13-15)24-8-7-23-18/h1-8,13H,9-12,14H2,(H,25,28)
InChIKeyUKESZFJEUWHYSD-UHFFFAOYSA-N
MW409.88 g/mol
LogP2.68
Rot. Bonds4

About N-(2-chlorophenyl)-2-[4-(quinoxaline-6-carbonyl)piperazin-1-yl]acetamide

N-(2-chlorophenyl)-2-[4-(quinoxaline-6-carbonyl)piperazin-1-yl]acetamide (PubChem CID 9020752) has the molecular formula C21H20ClN5O2 and a molecular weight of 409.88 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[4-(quinoxaline-6-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[4-(quinoxaline-6-carbonyl)piperazin-1-yl]acetamide
PubChem CID9020752
Molecular FormulaC21H20ClN5O2
Molecular Weight409.88 g/mol
Exact Mass409.13
IUPAC NameN-(2-chlorophenyl)-2-[4-(quinoxaline-6-carbonyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2ccc3nccnc3c2)CC1)Nc1ccccc1Cl
InChIInChI=1S/C21H20ClN5O2/c22-16-3-1-2-4-17(16)25-20(28)14-26-9-11-27(12-10-26)21(29)15-5-6-18-19(13-15)24-8-7-23-18/h1-8,13H,9-12,14H2,(H,25,28)
InChIKeyUKESZFJEUWHYSD-UHFFFAOYSA-N
XLogP2.68
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.88
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-aminobenzoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride
CID 119833686
N-(4-fluorophenyl)-2-[4-(quinoxaline-6-carbonyl)piperazin-1-yl]acetamide
CID 9022059
N-(2-chlorophenyl)-2-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]acetamide
CID 27860881
N-(2-chlorophenyl)-2-[4-(3,5-dimethoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 31333305
N-(2-chlorophenyl)-2-[4-(6-oxo-1H-pyrimidine-4-carbonyl)piperazin-1-yl]acetamide
CID 138037299
2-[4-(4-anilino-3-nitrobenzoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 46664005
N-(2-chlorophenyl)-2-[4-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetamide
CID 31339064
2-[4-[1-(3-aminopropyl)indole-5-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 166364808
2-[4-(5-chloro-2-hydroxybenzoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 31333414
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 119833649

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[4-(quinoxaline-6-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[4-(quinoxaline-6-carbonyl)piperazin-1-yl]acetamide (CID 9020752) is N-(2-chlorophenyl)-2-[4-(quinoxaline-6-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[4-(quinoxaline-6-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[4-(quinoxaline-6-carbonyl)piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)c2ccc3nccnc3c2)CC1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[4-(quinoxaline-6-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is UKESZFJEUWHYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O2/c22-16-3-1-2-4-17(16)25-20(28)14-26-9-11-27(12-10-26)21(29)15-5-6-18-19(13-15)24-8-7-23-18/h1-8,13H,9-12,14H2,(H,25,28).
What are the key properties of N-(2-chlorophenyl)-2-[4-(quinoxaline-6-carbonyl)piperazin-1-yl]acetamide?
N-(2-chlorophenyl)-2-[4-(quinoxaline-6-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 409.88 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[4-(quinoxaline-6-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 9020752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).