4-[4-(8-cyanoquinoxalin-5-yl)piperazin-1-yl]-N,N-dimethyl-4-oxobutanamide

C19H22N6O2 — CID 129240942

IUPAC4-[4-(8-cyanoquinoxalin-5-yl)piperazin-1-yl]-N,N-dimethyl-4-oxobutanamide
SMILESCN(C)C(=O)CCC(=O)N1CCN(c2ccc(C#N)c3nccnc23)CC1
InChIInChI=1S/C19H22N6O2/c1-23(2)16(26)5-6-17(27)25-11-9-24(10-12-25)15-4-3-14(13-20)18-19(15)22-8-7-21-18/h3-4,7-8H,5-6,9-12H2,1-2H3
InChIKeyIPPBCXOLNZIXTE-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.02
Rot. Bonds4

About 4-[4-(8-cyanoquinoxalin-5-yl)piperazin-1-yl]-N,N-dimethyl-4-oxobutanamide

4-[4-(8-cyanoquinoxalin-5-yl)piperazin-1-yl]-N,N-dimethyl-4-oxobutanamide (PubChem CID 129240942) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 4-[4-(8-cyanoquinoxalin-5-yl)piperazin-1-yl]-N,N-dimethyl-4-oxobutanamide.

Molecular Properties

Compound Name4-[4-(8-cyanoquinoxalin-5-yl)piperazin-1-yl]-N,N-dimethyl-4-oxobutanamide
PubChem CID129240942
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name4-[4-(8-cyanoquinoxalin-5-yl)piperazin-1-yl]-N,N-dimethyl-4-oxobutanamide
SMILESCN(C)C(=O)CCC(=O)N1CCN(c2ccc(C#N)c3nccnc23)CC1
InChIInChI=1S/C19H22N6O2/c1-23(2)16(26)5-6-17(27)25-11-9-24(10-12-25)15-4-3-14(13-20)18-19(15)22-8-7-21-18/h3-4,7-8H,5-6,9-12H2,1-2H3
InChIKeyIPPBCXOLNZIXTE-UHFFFAOYSA-N
XLogP1.02
TPSA93.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(8-cyanoquinoxalin-5-yl)piperazin-1-yl]-N,N-dimethyl-4-oxobutanamide?
The IUPAC name of 4-[4-(8-cyanoquinoxalin-5-yl)piperazin-1-yl]-N,N-dimethyl-4-oxobutanamide (CID 129240942) is 4-[4-(8-cyanoquinoxalin-5-yl)piperazin-1-yl]-N,N-dimethyl-4-oxobutanamide.
What is the SMILES notation for 4-[4-(8-cyanoquinoxalin-5-yl)piperazin-1-yl]-N,N-dimethyl-4-oxobutanamide?
The canonical SMILES for 4-[4-(8-cyanoquinoxalin-5-yl)piperazin-1-yl]-N,N-dimethyl-4-oxobutanamide is CN(C)C(=O)CCC(=O)N1CCN(c2ccc(C#N)c3nccnc23)CC1.
What is the InChIKey of 4-[4-(8-cyanoquinoxalin-5-yl)piperazin-1-yl]-N,N-dimethyl-4-oxobutanamide?
The InChIKey is IPPBCXOLNZIXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-23(2)16(26)5-6-17(27)25-11-9-24(10-12-25)15-4-3-14(13-20)18-19(15)22-8-7-21-18/h3-4,7-8H,5-6,9-12H2,1-2H3.
What are the key properties of 4-[4-(8-cyanoquinoxalin-5-yl)piperazin-1-yl]-N,N-dimethyl-4-oxobutanamide?
4-[4-(8-cyanoquinoxalin-5-yl)piperazin-1-yl]-N,N-dimethyl-4-oxobutanamide has a molecular weight of 366.43 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(8-cyanoquinoxalin-5-yl)piperazin-1-yl]-N,N-dimethyl-4-oxobutanamide is sourced from PubChem (CID 129240942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).