4-(6,7-dichloroquinoxalin-2-yl)oxybenzaldehyde

C15H8Cl2N2O2 — CID 133462565

IUPAC4-(6,7-dichloroquinoxalin-2-yl)oxybenzaldehyde
SMILESO=Cc1ccc(Oc2cnc3cc(Cl)c(Cl)cc3n2)cc1
InChIInChI=1S/C15H8Cl2N2O2/c16-11-5-13-14(6-12(11)17)19-15(7-18-13)21-10-3-1-9(8-20)2-4-10/h1-8H
InChIKeyIAGRQHZJSLGWCX-UHFFFAOYSA-N
MW319.15 g/mol
LogP4.54
Rot. Bonds3

About 4-(6,7-dichloroquinoxalin-2-yl)oxybenzaldehyde

4-(6,7-dichloroquinoxalin-2-yl)oxybenzaldehyde (PubChem CID 133462565) has the molecular formula C15H8Cl2N2O2 and a molecular weight of 319.15 g/mol. Its IUPAC name is 4-(6,7-dichloroquinoxalin-2-yl)oxybenzaldehyde.

Molecular Properties

Compound Name4-(6,7-dichloroquinoxalin-2-yl)oxybenzaldehyde
PubChem CID133462565
Molecular FormulaC15H8Cl2N2O2
Molecular Weight319.15 g/mol
Exact Mass318.00
IUPAC Name4-(6,7-dichloroquinoxalin-2-yl)oxybenzaldehyde
SMILESO=Cc1ccc(Oc2cnc3cc(Cl)c(Cl)cc3n2)cc1
InChIInChI=1S/C15H8Cl2N2O2/c16-11-5-13-14(6-12(11)17)19-15(7-18-13)21-10-3-1-9(8-20)2-4-10/h1-8H
InChIKeyIAGRQHZJSLGWCX-UHFFFAOYSA-N
XLogP4.54
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.15
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(6,7-dichloroquinoxalin-2-yl)oxybenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(6-chloro-3-pyridinyl)oxy]benzaldehyde
CID 118176488
4-(3-chloro-4-fluorophenoxy)benzaldehyde
CID 63877798
(E)-1-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]-N-ethoxymethanimine
CID 11820935
4-[2,3,5,6-tetrafluoro-4-(4-formylphenoxy)phenoxy]benzaldehyde
CID 1380013
4-(4-bromo-3-chlorophenoxy)benzaldehyde
CID 142325397
6-(4-propan-2-ylphenoxy)pyridine-3-carbaldehyde
CID 80632252
6-(4-iodophenoxy)pyridine-3-carbaldehyde
CID 80632740
4-(4-fluorophenoxy)benzaldehyde
CID 3856802
2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]-2-ethylhexanal
CID 56627761
(2R)-2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid
CID 3246729
4-(7-bromoquinoxalin-2-yl)oxy-2-chlorophenol
CID 70477859
4-(2,4-dimethylpyrimidin-5-yl)oxybenzaldehyde
CID 115036624

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dichloroquinoxalin-2-yl)oxybenzaldehyde?
The IUPAC name of 4-(6,7-dichloroquinoxalin-2-yl)oxybenzaldehyde (CID 133462565) is 4-(6,7-dichloroquinoxalin-2-yl)oxybenzaldehyde.
What is the SMILES notation for 4-(6,7-dichloroquinoxalin-2-yl)oxybenzaldehyde?
The canonical SMILES for 4-(6,7-dichloroquinoxalin-2-yl)oxybenzaldehyde is O=Cc1ccc(Oc2cnc3cc(Cl)c(Cl)cc3n2)cc1.
What is the InChIKey of 4-(6,7-dichloroquinoxalin-2-yl)oxybenzaldehyde?
The InChIKey is IAGRQHZJSLGWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2N2O2/c16-11-5-13-14(6-12(11)17)19-15(7-18-13)21-10-3-1-9(8-20)2-4-10/h1-8H.
What are the key properties of 4-(6,7-dichloroquinoxalin-2-yl)oxybenzaldehyde?
4-(6,7-dichloroquinoxalin-2-yl)oxybenzaldehyde has a molecular weight of 319.15 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dichloroquinoxalin-2-yl)oxybenzaldehyde is sourced from PubChem (CID 133462565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).