8-(3-methylpiperazin-1-yl)quinoxaline-5-carbaldehyde

C14H16N4O — CID 167500134

IUPAC8-(3-methylpiperazin-1-yl)quinoxaline-5-carbaldehyde
SMILESCC1CN(c2ccc(C=O)c3nccnc23)CCN1
InChIInChI=1S/C14H16N4O/c1-10-8-18(7-6-15-10)12-3-2-11(9-19)13-14(12)17-5-4-16-13/h2-5,9-10,15H,6-8H2,1H3
InChIKeyGWGJDOCQYWTSQV-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.24
Rot. Bonds2

About 8-(3-methylpiperazin-1-yl)quinoxaline-5-carbaldehyde

8-(3-methylpiperazin-1-yl)quinoxaline-5-carbaldehyde (PubChem CID 167500134) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 8-(3-methylpiperazin-1-yl)quinoxaline-5-carbaldehyde.

Molecular Properties

Compound Name8-(3-methylpiperazin-1-yl)quinoxaline-5-carbaldehyde
PubChem CID167500134
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name8-(3-methylpiperazin-1-yl)quinoxaline-5-carbaldehyde
SMILESCC1CN(c2ccc(C=O)c3nccnc23)CCN1
InChIInChI=1S/C14H16N4O/c1-10-8-18(7-6-15-10)12-3-2-11(9-19)13-14(12)17-5-4-16-13/h2-5,9-10,15H,6-8H2,1H3
InChIKeyGWGJDOCQYWTSQV-UHFFFAOYSA-N
XLogP1.24
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(3-methylpiperazin-1-yl)quinoxaline-5-carbaldehyde?
The IUPAC name of 8-(3-methylpiperazin-1-yl)quinoxaline-5-carbaldehyde (CID 167500134) is 8-(3-methylpiperazin-1-yl)quinoxaline-5-carbaldehyde.
What is the SMILES notation for 8-(3-methylpiperazin-1-yl)quinoxaline-5-carbaldehyde?
The canonical SMILES for 8-(3-methylpiperazin-1-yl)quinoxaline-5-carbaldehyde is CC1CN(c2ccc(C=O)c3nccnc23)CCN1.
What is the InChIKey of 8-(3-methylpiperazin-1-yl)quinoxaline-5-carbaldehyde?
The InChIKey is GWGJDOCQYWTSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-10-8-18(7-6-15-10)12-3-2-11(9-19)13-14(12)17-5-4-16-13/h2-5,9-10,15H,6-8H2,1H3.
What are the key properties of 8-(3-methylpiperazin-1-yl)quinoxaline-5-carbaldehyde?
8-(3-methylpiperazin-1-yl)quinoxaline-5-carbaldehyde has a molecular weight of 256.31 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methylpiperazin-1-yl)quinoxaline-5-carbaldehyde is sourced from PubChem (CID 167500134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).