5-(2-morpholin-4-ylethoxy)-2-phenoxynaphthalene-1,4-dione

C22H21NO5 — CID 170670656

IUPAC5-(2-morpholin-4-ylethoxy)-2-phenoxynaphthalene-1,4-dione
SMILESO=C1C(Oc2ccccc2)=CC(=O)c2c(OCCN3CCOCC3)cccc21
InChIInChI=1S/C22H21NO5/c24-18-15-20(28-16-5-2-1-3-6-16)22(25)17-7-4-8-19(21(17)18)27-14-11-23-9-12-26-13-10-23/h1-8,15H,9-14H2
InChIKeyKCKJFWUIBFLTSG-UHFFFAOYSA-N
MW379.41 g/mol
LogP2.74
Rot. Bonds6

About 5-(2-morpholin-4-ylethoxy)-2-phenoxynaphthalene-1,4-dione

5-(2-morpholin-4-ylethoxy)-2-phenoxynaphthalene-1,4-dione (PubChem CID 170670656) has the molecular formula C22H21NO5 and a molecular weight of 379.41 g/mol. Its IUPAC name is 5-(2-morpholin-4-ylethoxy)-2-phenoxynaphthalene-1,4-dione.

Molecular Properties

Compound Name5-(2-morpholin-4-ylethoxy)-2-phenoxynaphthalene-1,4-dione
PubChem CID170670656
Molecular FormulaC22H21NO5
Molecular Weight379.41 g/mol
Exact Mass379.14
IUPAC Name5-(2-morpholin-4-ylethoxy)-2-phenoxynaphthalene-1,4-dione
SMILESO=C1C(Oc2ccccc2)=CC(=O)c2c(OCCN3CCOCC3)cccc21
InChIInChI=1S/C22H21NO5/c24-18-15-20(28-16-5-2-1-3-6-16)22(25)17-7-4-8-19(21(17)18)27-14-11-23-9-12-26-13-10-23/h1-8,15H,9-14H2
InChIKeyKCKJFWUIBFLTSG-UHFFFAOYSA-N
XLogP2.74
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenoxy)-5-(2-morpholin-4-ylethoxy)naphthalene-1,4-dione
CID 170549572
2-(4-methoxyphenoxy)-5-(3-morpholin-4-ylpropoxy)naphthalene-1,4-dione
CID 170670674
4-ethoxy-5-(2-morpholin-4-ylethoxy)fluoren-9-one
CID 19594681
5-(2-morpholin-4-ylethoxy)-2-[(3E,5Z)-octa-1,3,5-trien-3-yl]oxynaphthalene-1,4-dione
CID 163275887
3,5-bis(2-morpholin-4-ylethoxy)fluoren-9-one
CID 57066277
2-(aminomethyl)-1-hydroxy-8-(2-morpholin-4-ylethoxy)anthracene-9,10-dione
CID 67872717
1,5-bis(2-pyrrolidin-1-ylethoxy)fluoren-9-one
CID 70189484
2-methyl-5-(2-morpholin-4-ylethoxy)isoquinolin-1-one
CID 20645387
ethane;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 144752549
3-(2-morpholin-4-ylethoxy)benzene-1,2-diamine
CID 91269103
2-[2-(1,4-oxazepan-4-yl)ethoxy]benzoic acid
CID 55134744
2-methyl-1-[2-(2-morpholin-4-ylethoxy)phenyl]propan-1-one
CID 118041363

Frequently Asked Questions

What is the IUPAC name of 5-(2-morpholin-4-ylethoxy)-2-phenoxynaphthalene-1,4-dione?
The IUPAC name of 5-(2-morpholin-4-ylethoxy)-2-phenoxynaphthalene-1,4-dione (CID 170670656) is 5-(2-morpholin-4-ylethoxy)-2-phenoxynaphthalene-1,4-dione.
What is the SMILES notation for 5-(2-morpholin-4-ylethoxy)-2-phenoxynaphthalene-1,4-dione?
The canonical SMILES for 5-(2-morpholin-4-ylethoxy)-2-phenoxynaphthalene-1,4-dione is O=C1C(Oc2ccccc2)=CC(=O)c2c(OCCN3CCOCC3)cccc21.
What is the InChIKey of 5-(2-morpholin-4-ylethoxy)-2-phenoxynaphthalene-1,4-dione?
The InChIKey is KCKJFWUIBFLTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO5/c24-18-15-20(28-16-5-2-1-3-6-16)22(25)17-7-4-8-19(21(17)18)27-14-11-23-9-12-26-13-10-23/h1-8,15H,9-14H2.
What are the key properties of 5-(2-morpholin-4-ylethoxy)-2-phenoxynaphthalene-1,4-dione?
5-(2-morpholin-4-ylethoxy)-2-phenoxynaphthalene-1,4-dione has a molecular weight of 379.41 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-morpholin-4-ylethoxy)-2-phenoxynaphthalene-1,4-dione is sourced from PubChem (CID 170670656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).