8-(3,5-dimethylpiperazin-1-yl)-3-oxo-4H-quinoxaline-5-carbaldehyde

C15H18N4O2 — CID 167500532

IUPAC8-(3,5-dimethylpiperazin-1-yl)-3-oxo-4H-quinoxaline-5-carbaldehyde
SMILESCC1CN(c2ccc(C=O)c3[nH]c(=O)cnc23)CC(C)N1
InChIInChI=1S/C15H18N4O2/c1-9-6-19(7-10(2)17-9)12-4-3-11(8-20)14-15(12)16-5-13(21)18-14/h3-5,8-10,17H,6-7H2,1-2H3,(H,18,21)
InChIKeyGPKDTZQCPQWMLA-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.92
Rot. Bonds2

About 8-(3,5-dimethylpiperazin-1-yl)-3-oxo-4H-quinoxaline-5-carbaldehyde

8-(3,5-dimethylpiperazin-1-yl)-3-oxo-4H-quinoxaline-5-carbaldehyde (PubChem CID 167500532) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 8-(3,5-dimethylpiperazin-1-yl)-3-oxo-4H-quinoxaline-5-carbaldehyde.

Molecular Properties

Compound Name8-(3,5-dimethylpiperazin-1-yl)-3-oxo-4H-quinoxaline-5-carbaldehyde
PubChem CID167500532
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name8-(3,5-dimethylpiperazin-1-yl)-3-oxo-4H-quinoxaline-5-carbaldehyde
SMILESCC1CN(c2ccc(C=O)c3[nH]c(=O)cnc23)CC(C)N1
InChIInChI=1S/C15H18N4O2/c1-9-6-19(7-10(2)17-9)12-4-3-11(8-20)14-15(12)16-5-13(21)18-14/h3-5,8-10,17H,6-7H2,1-2H3,(H,18,21)
InChIKeyGPKDTZQCPQWMLA-UHFFFAOYSA-N
XLogP0.92
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

8-(3-methylpiperazin-1-yl)quinoxaline-5-carbaldehyde
CID 167500134
2-(3,5-dimethylpiperazin-1-yl)-3-methoxybenzaldehyde
CID 76782314
5-(2,6-dimethylpiperidin-4-yl)-1H-quinoxalin-2-one
CID 175903872
4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-1,3,5,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,10,12,14,16-octaene-9-carbaldehyde
CID 130436928
3,5-dimethyl-1-(4-methyl-3-pyridinyl)piperazine
CID 66273910
5-(3,5-dimethylpiperazin-1-yl)quinoline
CID 81217174
(3R,5R)-3,5-dimethyl-1-(2-nitrophenyl)piperazine
CID 7059973
5-(3,5-dimethylpiperazin-1-yl)-3-methoxycinnoline-8-carbaldehyde;8-fluoro-N,2-dimethylimidazo[1,2-a]pyridin-6-amine
CID 167500269
2-(3,5-dimethylpiperazin-1-yl)quinazoline
CID 22636321
4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]naphthalene-1-carbonitrile
CID 146320254
4-bromo-5-(3,5-dimethylpiperazin-1-yl)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114445229
4-chloro-2-(3,4-dimethylpyrrolidin-1-yl)benzaldehyde
CID 114844419

Frequently Asked Questions

What is the IUPAC name of 8-(3,5-dimethylpiperazin-1-yl)-3-oxo-4H-quinoxaline-5-carbaldehyde?
The IUPAC name of 8-(3,5-dimethylpiperazin-1-yl)-3-oxo-4H-quinoxaline-5-carbaldehyde (CID 167500532) is 8-(3,5-dimethylpiperazin-1-yl)-3-oxo-4H-quinoxaline-5-carbaldehyde.
What is the SMILES notation for 8-(3,5-dimethylpiperazin-1-yl)-3-oxo-4H-quinoxaline-5-carbaldehyde?
The canonical SMILES for 8-(3,5-dimethylpiperazin-1-yl)-3-oxo-4H-quinoxaline-5-carbaldehyde is CC1CN(c2ccc(C=O)c3[nH]c(=O)cnc23)CC(C)N1.
What is the InChIKey of 8-(3,5-dimethylpiperazin-1-yl)-3-oxo-4H-quinoxaline-5-carbaldehyde?
The InChIKey is GPKDTZQCPQWMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-9-6-19(7-10(2)17-9)12-4-3-11(8-20)14-15(12)16-5-13(21)18-14/h3-5,8-10,17H,6-7H2,1-2H3,(H,18,21).
What are the key properties of 8-(3,5-dimethylpiperazin-1-yl)-3-oxo-4H-quinoxaline-5-carbaldehyde?
8-(3,5-dimethylpiperazin-1-yl)-3-oxo-4H-quinoxaline-5-carbaldehyde has a molecular weight of 286.33 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,5-dimethylpiperazin-1-yl)-3-oxo-4H-quinoxaline-5-carbaldehyde is sourced from PubChem (CID 167500532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).