1-[4-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoyl]piperazin-1-yl]ethanone

C21H20N8O2 — CID 73442172

IUPAC1-[4-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccc(Nc3nc4ccccc4n4nnnc34)cc2)CC1
InChIInChI=1S/C21H20N8O2/c1-14(30)27-10-12-28(13-11-27)21(31)15-6-8-16(9-7-15)22-19-20-24-25-26-29(20)18-5-3-2-4-17(18)23-19/h2-9H,10-13H2,1H3,(H,22,23)
InChIKeyZRSLYLSFMXMLDY-UHFFFAOYSA-N
MW416.45 g/mol
LogP1.72
Rot. Bonds3

About 1-[4-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoyl]piperazin-1-yl]ethanone

1-[4-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoyl]piperazin-1-yl]ethanone (PubChem CID 73442172) has the molecular formula C21H20N8O2 and a molecular weight of 416.45 g/mol. Its IUPAC name is 1-[4-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoyl]piperazin-1-yl]ethanone
PubChem CID73442172
Molecular FormulaC21H20N8O2
Molecular Weight416.45 g/mol
Exact Mass416.17
IUPAC Name1-[4-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccc(Nc3nc4ccccc4n4nnnc34)cc2)CC1
InChIInChI=1S/C21H20N8O2/c1-14(30)27-10-12-28(13-11-27)21(31)15-6-8-16(9-7-15)22-19-20-24-25-26-29(20)18-5-3-2-4-17(18)23-19/h2-9H,10-13H2,1H3,(H,22,23)
InChIKeyZRSLYLSFMXMLDY-UHFFFAOYSA-N
XLogP1.72
TPSA108.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoyl]piperazin-1-yl]ethanone (CID 73442172) is 1-[4-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2ccc(Nc3nc4ccccc4n4nnnc34)cc2)CC1.
What is the InChIKey of 1-[4-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoyl]piperazin-1-yl]ethanone?
The InChIKey is ZRSLYLSFMXMLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8O2/c1-14(30)27-10-12-28(13-11-27)21(31)15-6-8-16(9-7-15)22-19-20-24-25-26-29(20)18-5-3-2-4-17(18)23-19/h2-9H,10-13H2,1H3,(H,22,23).
What are the key properties of 1-[4-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoyl]piperazin-1-yl]ethanone?
1-[4-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoyl]piperazin-1-yl]ethanone has a molecular weight of 416.45 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 73442172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).