[4-(4-methoxyphenyl)piperazin-1-yl]-quinoxalin-2-ylmethanone

C20H20N4O2 — CID 18192931

IUPAC[4-(4-methoxyphenyl)piperazin-1-yl]-quinoxalin-2-ylmethanone
SMILESCOc1ccc(N2CCN(C(=O)c3cnc4ccccc4n3)CC2)cc1
InChIInChI=1S/C20H20N4O2/c1-26-16-8-6-15(7-9-16)23-10-12-24(13-11-23)20(25)19-14-21-17-4-2-3-5-18(17)22-19/h2-9,14H,10-13H2,1H3
InChIKeyWKSAEPNQBMYGBS-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.60
Rot. Bonds3

About [4-(4-methoxyphenyl)piperazin-1-yl]-quinoxalin-2-ylmethanone

[4-(4-methoxyphenyl)piperazin-1-yl]-quinoxalin-2-ylmethanone (PubChem CID 18192931) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)piperazin-1-yl]-quinoxalin-2-ylmethanone.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)piperazin-1-yl]-quinoxalin-2-ylmethanone
PubChem CID18192931
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name[4-(4-methoxyphenyl)piperazin-1-yl]-quinoxalin-2-ylmethanone
SMILESCOc1ccc(N2CCN(C(=O)c3cnc4ccccc4n3)CC2)cc1
InChIInChI=1S/C20H20N4O2/c1-26-16-8-6-15(7-9-16)23-10-12-24(13-11-23)20(25)19-14-21-17-4-2-3-5-18(17)22-19/h2-9,14H,10-13H2,1H3
InChIKeyWKSAEPNQBMYGBS-UHFFFAOYSA-N
XLogP2.60
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] quinoxaline-2-carboxylate
CID 23744577
(4-methoxyphenyl)-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]methanone
CID 33365935
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-quinoxalin-2-ylsulfanylethanone
CID 25491118
(5-anilinopyrazin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109289416
[4-(3,5-dimethoxyanilino)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 99814672
[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184633
[4-(3-methoxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone
CID 2023384
[4-(4-methoxyphenyl)piperazin-1-yl]-(6-methylpyridazin-3-yl)methanone
CID 110705277
[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 122341062
[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 122341994
[4-(4-methoxyphenyl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 17011323
(2-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 937879

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-quinoxalin-2-ylmethanone?
The IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-quinoxalin-2-ylmethanone (CID 18192931) is [4-(4-methoxyphenyl)piperazin-1-yl]-quinoxalin-2-ylmethanone.
What is the SMILES notation for [4-(4-methoxyphenyl)piperazin-1-yl]-quinoxalin-2-ylmethanone?
The canonical SMILES for [4-(4-methoxyphenyl)piperazin-1-yl]-quinoxalin-2-ylmethanone is COc1ccc(N2CCN(C(=O)c3cnc4ccccc4n3)CC2)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)piperazin-1-yl]-quinoxalin-2-ylmethanone?
The InChIKey is WKSAEPNQBMYGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-26-16-8-6-15(7-9-16)23-10-12-24(13-11-23)20(25)19-14-21-17-4-2-3-5-18(17)22-19/h2-9,14H,10-13H2,1H3.
What are the key properties of [4-(4-methoxyphenyl)piperazin-1-yl]-quinoxalin-2-ylmethanone?
[4-(4-methoxyphenyl)piperazin-1-yl]-quinoxalin-2-ylmethanone has a molecular weight of 348.41 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)piperazin-1-yl]-quinoxalin-2-ylmethanone is sourced from PubChem (CID 18192931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).