2-[6-(2-morpholin-4-ylphenoxy)-3-pyridinyl]benzaldehyde

C22H20N2O3 — CID 126471003

IUPAC2-[6-(2-morpholin-4-ylphenoxy)-3-pyridinyl]benzaldehyde
SMILESO=Cc1ccccc1-c1ccc(Oc2ccccc2N2CCOCC2)nc1
InChIInChI=1S/C22H20N2O3/c25-16-18-5-1-2-6-19(18)17-9-10-22(23-15-17)27-21-8-4-3-7-20(21)24-11-13-26-14-12-24/h1-10,15-16H,11-14H2
InChIKeyDPUCEPOKZQHTCZ-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.19
Rot. Bonds5

About 2-[6-(2-morpholin-4-ylphenoxy)-3-pyridinyl]benzaldehyde

2-[6-(2-morpholin-4-ylphenoxy)-3-pyridinyl]benzaldehyde (PubChem CID 126471003) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-[6-(2-morpholin-4-ylphenoxy)-3-pyridinyl]benzaldehyde.

Molecular Properties

Compound Name2-[6-(2-morpholin-4-ylphenoxy)-3-pyridinyl]benzaldehyde
PubChem CID126471003
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name2-[6-(2-morpholin-4-ylphenoxy)-3-pyridinyl]benzaldehyde
SMILESO=Cc1ccccc1-c1ccc(Oc2ccccc2N2CCOCC2)nc1
InChIInChI=1S/C22H20N2O3/c25-16-18-5-1-2-6-19(18)17-9-10-22(23-15-17)27-21-8-4-3-7-20(21)24-11-13-26-14-12-24/h1-10,15-16H,11-14H2
InChIKeyDPUCEPOKZQHTCZ-UHFFFAOYSA-N
XLogP4.19
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-phenoxyphenyl)morpholine
CID 518097
2-[4-(6-morpholin-4-yl-4-oxopyran-2-yl)phenyl]benzaldehyde
CID 21106421
16-(2-methoxyphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 86134682
4-(2-pyrimidin-5-ylphenyl)morpholine
CID 68578973
2-(2-morpholin-4-ylphenyl)isoindole-1,3-dione
CID 2813240
2-hydroxy-3-methoxy-5-(6-morpholin-4-yl-3-pyridinyl)benzaldehyde
CID 59599778
(2-morpholin-4-ylphenyl) 2-phenoxypyridine-3-carboxylate
CID 2811307
2-(3,5-dimethylpyrazol-1-yl)-2-[4-[2-(6-morpholin-4-yl-3-pyridinyl)phenyl]piperazin-1-yl]acetaldehyde
CID 87067703
6-(2-phenylphenoxy)pyridine-3-carboxylic acid
CID 43825428
3-(2-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117435513
4-[2-(3-phenylmethoxypropoxy)phenyl]morpholine
CID 167513814
3-(2-morpholin-4-ylphenyl)phenol
CID 173316588

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-morpholin-4-ylphenoxy)-3-pyridinyl]benzaldehyde?
The IUPAC name of 2-[6-(2-morpholin-4-ylphenoxy)-3-pyridinyl]benzaldehyde (CID 126471003) is 2-[6-(2-morpholin-4-ylphenoxy)-3-pyridinyl]benzaldehyde.
What is the SMILES notation for 2-[6-(2-morpholin-4-ylphenoxy)-3-pyridinyl]benzaldehyde?
The canonical SMILES for 2-[6-(2-morpholin-4-ylphenoxy)-3-pyridinyl]benzaldehyde is O=Cc1ccccc1-c1ccc(Oc2ccccc2N2CCOCC2)nc1.
What is the InChIKey of 2-[6-(2-morpholin-4-ylphenoxy)-3-pyridinyl]benzaldehyde?
The InChIKey is DPUCEPOKZQHTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c25-16-18-5-1-2-6-19(18)17-9-10-22(23-15-17)27-21-8-4-3-7-20(21)24-11-13-26-14-12-24/h1-10,15-16H,11-14H2.
What are the key properties of 2-[6-(2-morpholin-4-ylphenoxy)-3-pyridinyl]benzaldehyde?
2-[6-(2-morpholin-4-ylphenoxy)-3-pyridinyl]benzaldehyde has a molecular weight of 360.41 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-morpholin-4-ylphenoxy)-3-pyridinyl]benzaldehyde is sourced from PubChem (CID 126471003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).