2-morpholin-4-yl-3-phenylnaphthalene-1,4-dione

C20H17NO3 — CID 18871136

IUPAC2-morpholin-4-yl-3-phenylnaphthalene-1,4-dione
SMILESO=C1C(c2ccccc2)=C(N2CCOCC2)C(=O)c2ccccc21
InChIInChI=1S/C20H17NO3/c22-19-15-8-4-5-9-16(15)20(23)18(21-10-12-24-13-11-21)17(19)14-6-2-1-3-7-14/h1-9H,10-13H2
InChIKeySLUVIEFNEKLOTJ-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.81
Rot. Bonds2

About 2-morpholin-4-yl-3-phenylnaphthalene-1,4-dione

2-morpholin-4-yl-3-phenylnaphthalene-1,4-dione (PubChem CID 18871136) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-morpholin-4-yl-3-phenylnaphthalene-1,4-dione.

Molecular Properties

Compound Name2-morpholin-4-yl-3-phenylnaphthalene-1,4-dione
PubChem CID18871136
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name2-morpholin-4-yl-3-phenylnaphthalene-1,4-dione
SMILESO=C1C(c2ccccc2)=C(N2CCOCC2)C(=O)c2ccccc21
InChIInChI=1S/C20H17NO3/c22-19-15-8-4-5-9-16(15)20(23)18(21-10-12-24-13-11-21)17(19)14-6-2-1-3-7-14/h1-9H,10-13H2
InChIKeySLUVIEFNEKLOTJ-UHFFFAOYSA-N
XLogP2.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-morpholin-4-yl-3-phenylnaphthalene-1,4-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-3-phenylnaphthalene-1,4-dione?
The IUPAC name of 2-morpholin-4-yl-3-phenylnaphthalene-1,4-dione (CID 18871136) is 2-morpholin-4-yl-3-phenylnaphthalene-1,4-dione.
What is the SMILES notation for 2-morpholin-4-yl-3-phenylnaphthalene-1,4-dione?
The canonical SMILES for 2-morpholin-4-yl-3-phenylnaphthalene-1,4-dione is O=C1C(c2ccccc2)=C(N2CCOCC2)C(=O)c2ccccc21.
What is the InChIKey of 2-morpholin-4-yl-3-phenylnaphthalene-1,4-dione?
The InChIKey is SLUVIEFNEKLOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c22-19-15-8-4-5-9-16(15)20(23)18(21-10-12-24-13-11-21)17(19)14-6-2-1-3-7-14/h1-9H,10-13H2.
What are the key properties of 2-morpholin-4-yl-3-phenylnaphthalene-1,4-dione?
2-morpholin-4-yl-3-phenylnaphthalene-1,4-dione has a molecular weight of 319.36 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-3-phenylnaphthalene-1,4-dione is sourced from PubChem (CID 18871136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).