2-(4-fluorophenoxy)-5-(2-morpholin-4-ylethoxy)naphthalene-1,4-dione

C22H20FNO5 — CID 170549572

IUPAC2-(4-fluorophenoxy)-5-(2-morpholin-4-ylethoxy)naphthalene-1,4-dione
SMILESO=C1C(Oc2ccc(F)cc2)=CC(=O)c2c(OCCN3CCOCC3)cccc21
InChIInChI=1S/C22H20FNO5/c23-15-4-6-16(7-5-15)29-20-14-18(25)21-17(22(20)26)2-1-3-19(21)28-13-10-24-8-11-27-12-9-24/h1-7,14H,8-13H2
InChIKeyQYHQHZNAXOOIRU-UHFFFAOYSA-N
MW397.40 g/mol
LogP2.88
Rot. Bonds6

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

2-(4-fluorophenoxy)-5-(2-morpholin-4-ylethoxy)naphthalene-1,4-dione (PubChem CID 170549572) has the molecular formula C22H20FNO5 and a molecular weight of 397.40 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-5-(2-morpholin-4-ylethoxy)naphthalene-1,4-dione.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-5-(2-morpholin-4-ylethoxy)naphthalene-1,4-dione
PubChem CID170549572
Molecular FormulaC22H20FNO5
Molecular Weight397.40 g/mol
Exact Mass397.13
IUPAC Name2-(4-fluorophenoxy)-5-(2-morpholin-4-ylethoxy)naphthalene-1,4-dione
SMILESO=C1C(Oc2ccc(F)cc2)=CC(=O)c2c(OCCN3CCOCC3)cccc21
InChIInChI=1S/C22H20FNO5/c23-15-4-6-16(7-5-15)29-20-14-18(25)21-17(22(20)26)2-1-3-19(21)28-13-10-24-8-11-27-12-9-24/h1-7,14H,8-13H2
InChIKeyQYHQHZNAXOOIRU-UHFFFAOYSA-N
XLogP2.88
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 52.88
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

5-(2-morpholin-4-ylethoxy)-2-phenoxynaphthalene-1,4-dione
CID 170670656
2-(4-methoxyphenoxy)-5-(3-morpholin-4-ylpropoxy)naphthalene-1,4-dione
CID 170670674
3,5-bis(2-morpholin-4-ylethoxy)fluoren-9-one
CID 57066277
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
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
4-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]morpholine
CID 30983916
(3Z)-5-fluoro-3-[[3-methyl-4-(2-morpholin-4-ylethoxy)azulen-1-yl]methylidene]-1H-indol-2-one
CID 52946208
5-methoxy-2-(4-methylphenoxy)naphthalene-1,4-dione
CID 122185484
2-methyl-5-(2-morpholin-4-ylethoxy)isoquinolin-1-one
CID 20645387
3-(2-morpholin-4-ylethoxy)benzene-1,2-diamine
CID 91269103

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-5-(2-morpholin-4-ylethoxy)naphthalene-1,4-dione?
The IUPAC name of 2-(4-fluorophenoxy)-5-(2-morpholin-4-ylethoxy)naphthalene-1,4-dione (CID 170549572) is 2-(4-fluorophenoxy)-5-(2-morpholin-4-ylethoxy)naphthalene-1,4-dione.
What is the SMILES notation for 2-(4-fluorophenoxy)-5-(2-morpholin-4-ylethoxy)naphthalene-1,4-dione?
The canonical SMILES for 2-(4-fluorophenoxy)-5-(2-morpholin-4-ylethoxy)naphthalene-1,4-dione is O=C1C(Oc2ccc(F)cc2)=CC(=O)c2c(OCCN3CCOCC3)cccc21.
What is the InChIKey of 2-(4-fluorophenoxy)-5-(2-morpholin-4-ylethoxy)naphthalene-1,4-dione?
The InChIKey is QYHQHZNAXOOIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO5/c23-15-4-6-16(7-5-15)29-20-14-18(25)21-17(22(20)26)2-1-3-19(21)28-13-10-24-8-11-27-12-9-24/h1-7,14H,8-13H2.
What are the key properties of 2-(4-fluorophenoxy)-5-(2-morpholin-4-ylethoxy)naphthalene-1,4-dione?
2-(4-fluorophenoxy)-5-(2-morpholin-4-ylethoxy)naphthalene-1,4-dione has a molecular weight of 397.40 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-5-(2-morpholin-4-ylethoxy)naphthalene-1,4-dione is sourced from PubChem (CID 170549572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).