8-[4-[4-(diethylamino)butanoyl]piperazin-1-yl]quinoxaline-5-carbonitrile

C21H28N6O — CID 158709555

IUPAC8-[4-[4-(diethylamino)butanoyl]piperazin-1-yl]quinoxaline-5-carbonitrile
SMILESCCN(CC)CCCC(=O)N1CCN(c2ccc(C#N)c3nccnc23)CC1
InChIInChI=1S/C21H28N6O/c1-3-25(4-2)11-5-6-19(28)27-14-12-26(13-15-27)18-8-7-17(16-22)20-21(18)24-10-9-23-20/h7-10H,3-6,11-15H2,1-2H3
InChIKeyVAROWTOHLRWCBS-UHFFFAOYSA-N
MW380.50 g/mol
LogP2.27
Rot. Bonds7

About 8-[4-[4-(diethylamino)butanoyl]piperazin-1-yl]quinoxaline-5-carbonitrile

8-[4-[4-(diethylamino)butanoyl]piperazin-1-yl]quinoxaline-5-carbonitrile (PubChem CID 158709555) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is 8-[4-[4-(diethylamino)butanoyl]piperazin-1-yl]quinoxaline-5-carbonitrile.

Molecular Properties

Compound Name8-[4-[4-(diethylamino)butanoyl]piperazin-1-yl]quinoxaline-5-carbonitrile
PubChem CID158709555
Molecular FormulaC21H28N6O
Molecular Weight380.50 g/mol
Exact Mass380.23
IUPAC Name8-[4-[4-(diethylamino)butanoyl]piperazin-1-yl]quinoxaline-5-carbonitrile
SMILESCCN(CC)CCCC(=O)N1CCN(c2ccc(C#N)c3nccnc23)CC1
InChIInChI=1S/C21H28N6O/c1-3-25(4-2)11-5-6-19(28)27-14-12-26(13-15-27)18-8-7-17(16-22)20-21(18)24-10-9-23-20/h7-10H,3-6,11-15H2,1-2H3
InChIKeyVAROWTOHLRWCBS-UHFFFAOYSA-N
XLogP2.27
TPSA76.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[4-(diethylamino)butanoyl]piperazin-1-yl]quinoxaline-5-carbonitrile?
The IUPAC name of 8-[4-[4-(diethylamino)butanoyl]piperazin-1-yl]quinoxaline-5-carbonitrile (CID 158709555) is 8-[4-[4-(diethylamino)butanoyl]piperazin-1-yl]quinoxaline-5-carbonitrile.
What is the SMILES notation for 8-[4-[4-(diethylamino)butanoyl]piperazin-1-yl]quinoxaline-5-carbonitrile?
The canonical SMILES for 8-[4-[4-(diethylamino)butanoyl]piperazin-1-yl]quinoxaline-5-carbonitrile is CCN(CC)CCCC(=O)N1CCN(c2ccc(C#N)c3nccnc23)CC1.
What is the InChIKey of 8-[4-[4-(diethylamino)butanoyl]piperazin-1-yl]quinoxaline-5-carbonitrile?
The InChIKey is VAROWTOHLRWCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O/c1-3-25(4-2)11-5-6-19(28)27-14-12-26(13-15-27)18-8-7-17(16-22)20-21(18)24-10-9-23-20/h7-10H,3-6,11-15H2,1-2H3.
What are the key properties of 8-[4-[4-(diethylamino)butanoyl]piperazin-1-yl]quinoxaline-5-carbonitrile?
8-[4-[4-(diethylamino)butanoyl]piperazin-1-yl]quinoxaline-5-carbonitrile has a molecular weight of 380.50 g/mol, XLogP of 2.27, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[4-(diethylamino)butanoyl]piperazin-1-yl]quinoxaline-5-carbonitrile is sourced from PubChem (CID 158709555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).