2-(6-chloro-3-oxo-2,4-dihydroquinoxalin-1-yl)acetaldehyde

C10H9ClN2O2 — CID 83849997

IUPAC2-(6-chloro-3-oxo-2,4-dihydroquinoxalin-1-yl)acetaldehyde
SMILESO=CCN1CC(=O)Nc2cc(Cl)ccc21
InChIInChI=1S/C10H9ClN2O2/c11-7-1-2-9-8(5-7)12-10(15)6-13(9)3-4-14/h1-2,4-5H,3,6H2,(H,12,15)
InChIKeyCBGPBUBAGWNUMB-UHFFFAOYSA-N
MW224.65 g/mol
LogP1.30
Rot. Bonds2

About 2-(6-chloro-3-oxo-2,4-dihydroquinoxalin-1-yl)acetaldehyde

2-(6-chloro-3-oxo-2,4-dihydroquinoxalin-1-yl)acetaldehyde (PubChem CID 83849997) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is 2-(6-chloro-3-oxo-2,4-dihydroquinoxalin-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(6-chloro-3-oxo-2,4-dihydroquinoxalin-1-yl)acetaldehyde
PubChem CID83849997
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Name2-(6-chloro-3-oxo-2,4-dihydroquinoxalin-1-yl)acetaldehyde
SMILESO=CCN1CC(=O)Nc2cc(Cl)ccc21
InChIInChI=1S/C10H9ClN2O2/c11-7-1-2-9-8(5-7)12-10(15)6-13(9)3-4-14/h1-2,4-5H,3,6H2,(H,12,15)
InChIKeyCBGPBUBAGWNUMB-UHFFFAOYSA-N
XLogP1.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-oxo-2,4-dihydroquinoxalin-1-yl)acetaldehyde?
The IUPAC name of 2-(6-chloro-3-oxo-2,4-dihydroquinoxalin-1-yl)acetaldehyde (CID 83849997) is 2-(6-chloro-3-oxo-2,4-dihydroquinoxalin-1-yl)acetaldehyde.
What is the SMILES notation for 2-(6-chloro-3-oxo-2,4-dihydroquinoxalin-1-yl)acetaldehyde?
The canonical SMILES for 2-(6-chloro-3-oxo-2,4-dihydroquinoxalin-1-yl)acetaldehyde is O=CCN1CC(=O)Nc2cc(Cl)ccc21.
What is the InChIKey of 2-(6-chloro-3-oxo-2,4-dihydroquinoxalin-1-yl)acetaldehyde?
The InChIKey is CBGPBUBAGWNUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c11-7-1-2-9-8(5-7)12-10(15)6-13(9)3-4-14/h1-2,4-5H,3,6H2,(H,12,15).
What are the key properties of 2-(6-chloro-3-oxo-2,4-dihydroquinoxalin-1-yl)acetaldehyde?
2-(6-chloro-3-oxo-2,4-dihydroquinoxalin-1-yl)acetaldehyde has a molecular weight of 224.65 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-oxo-2,4-dihydroquinoxalin-1-yl)acetaldehyde is sourced from PubChem (CID 83849997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).