6-chloro-3-phenyl-2H-quinoxaline-1-carbaldehyde

C15H11ClN2O — CID 174507845

IUPAC6-chloro-3-phenyl-2H-quinoxaline-1-carbaldehyde
SMILESO=CN1CC(c2ccccc2)=Nc2cc(Cl)ccc21
InChIInChI=1S/C15H11ClN2O/c16-12-6-7-15-13(8-12)17-14(9-18(15)10-19)11-4-2-1-3-5-11/h1-8,10H,9H2
InChIKeyFKBZXWIEIJOYJY-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.44
Rot. Bonds2

About 6-chloro-3-phenyl-2H-quinoxaline-1-carbaldehyde

6-chloro-3-phenyl-2H-quinoxaline-1-carbaldehyde (PubChem CID 174507845) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is 6-chloro-3-phenyl-2H-quinoxaline-1-carbaldehyde.

Molecular Properties

Compound Name6-chloro-3-phenyl-2H-quinoxaline-1-carbaldehyde
PubChem CID174507845
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC Name6-chloro-3-phenyl-2H-quinoxaline-1-carbaldehyde
SMILESO=CN1CC(c2ccccc2)=Nc2cc(Cl)ccc21
InChIInChI=1S/C15H11ClN2O/c16-12-6-7-15-13(8-12)17-14(9-18(15)10-19)11-4-2-1-3-5-11/h1-8,10H,9H2
InChIKeyFKBZXWIEIJOYJY-UHFFFAOYSA-N
XLogP3.44
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-phenyl-2H-quinoxaline-1-carbaldehyde?
The IUPAC name of 6-chloro-3-phenyl-2H-quinoxaline-1-carbaldehyde (CID 174507845) is 6-chloro-3-phenyl-2H-quinoxaline-1-carbaldehyde.
What is the SMILES notation for 6-chloro-3-phenyl-2H-quinoxaline-1-carbaldehyde?
The canonical SMILES for 6-chloro-3-phenyl-2H-quinoxaline-1-carbaldehyde is O=CN1CC(c2ccccc2)=Nc2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-3-phenyl-2H-quinoxaline-1-carbaldehyde?
The InChIKey is FKBZXWIEIJOYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O/c16-12-6-7-15-13(8-12)17-14(9-18(15)10-19)11-4-2-1-3-5-11/h1-8,10H,9H2.
What are the key properties of 6-chloro-3-phenyl-2H-quinoxaline-1-carbaldehyde?
6-chloro-3-phenyl-2H-quinoxaline-1-carbaldehyde has a molecular weight of 270.72 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-phenyl-2H-quinoxaline-1-carbaldehyde is sourced from PubChem (CID 174507845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).