2-methoxy-3-morpholin-4-ylnaphthalene-1,4-dione

C15H15NO4 — CID 781111

IUPAC2-methoxy-3-morpholin-4-ylnaphthalene-1,4-dione
SMILESCOC1=C(N2CCOCC2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H15NO4/c1-19-15-12(16-6-8-20-9-7-16)13(17)10-4-2-3-5-11(10)14(15)18/h2-5H,6-9H2,1H3
InChIKeyWUTXIXPBNDXIEL-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.26
Rot. Bonds2

About 2-methoxy-3-morpholin-4-ylnaphthalene-1,4-dione

2-methoxy-3-morpholin-4-ylnaphthalene-1,4-dione (PubChem CID 781111) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-methoxy-3-morpholin-4-ylnaphthalene-1,4-dione.

Molecular Properties

Compound Name2-methoxy-3-morpholin-4-ylnaphthalene-1,4-dione
PubChem CID781111
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name2-methoxy-3-morpholin-4-ylnaphthalene-1,4-dione
SMILESCOC1=C(N2CCOCC2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H15NO4/c1-19-15-12(16-6-8-20-9-7-16)13(17)10-4-2-3-5-11(10)14(15)18/h2-5H,6-9H2,1H3
InChIKeyWUTXIXPBNDXIEL-UHFFFAOYSA-N
XLogP1.26
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-morpholin-4-yl-3-phenylnaphthalene-1,4-dione
CID 18871136
2-(ethylamino)-3-morpholin-4-ylnaphthalene-1,4-dione
CID 14692055
N-(1-methoxypropan-2-yl)-3-morpholin-4-yl-1,4-dioxonaphthalene-2-sulfonamide
CID 25047016
2-(4-chlorophenyl)-3-morpholin-4-ylnaphthalene-1,4-dione
CID 18871168
N-(4-bromophenyl)-3-morpholin-4-yl-1,4-dioxonaphthalene-2-sulfonamide
CID 25047036
2,3-dimethoxynaphthalene-1,4-dione;ethane
CID 144726564
2-(2-morpholin-4-ylphenyl)isoindole-1,3-dione
CID 2813240
2-methoxy-N-(2-methoxyethyl)-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide
CID 11632476
1-ethyl-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110565875
N,N-bis(2-hydroxyethyl)-3-morpholin-4-yl-1,4-dioxonaphthalene-2-sulfonamide
CID 23852518
dimethyl (2S)-2-[acetyl-[1,4-dioxo-3-(1,4,7-trioxa-10-azacyclododec-10-yl)naphthalen-2-yl]amino]butanedioate
CID 102095398
3-(2-methoxyphenyl)-4-morpholin-4-yl-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione
CID 110567613

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-morpholin-4-ylnaphthalene-1,4-dione?
The IUPAC name of 2-methoxy-3-morpholin-4-ylnaphthalene-1,4-dione (CID 781111) is 2-methoxy-3-morpholin-4-ylnaphthalene-1,4-dione.
What is the SMILES notation for 2-methoxy-3-morpholin-4-ylnaphthalene-1,4-dione?
The canonical SMILES for 2-methoxy-3-morpholin-4-ylnaphthalene-1,4-dione is COC1=C(N2CCOCC2)C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-methoxy-3-morpholin-4-ylnaphthalene-1,4-dione?
The InChIKey is WUTXIXPBNDXIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-19-15-12(16-6-8-20-9-7-16)13(17)10-4-2-3-5-11(10)14(15)18/h2-5H,6-9H2,1H3.
What are the key properties of 2-methoxy-3-morpholin-4-ylnaphthalene-1,4-dione?
2-methoxy-3-morpholin-4-ylnaphthalene-1,4-dione has a molecular weight of 273.29 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-morpholin-4-ylnaphthalene-1,4-dione is sourced from PubChem (CID 781111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).