5-[(4-methoxynaphthalen-1-yl)methylidene]-1,3-diazinane-2,4,6-trione

C16H12N2O4 — CID 2299862

IUPAC5-[(4-methoxynaphthalen-1-yl)methylidene]-1,3-diazinane-2,4,6-trione
SMILESCOc1ccc(C=C2C(=O)NC(=O)NC2=O)c2ccccc12
InChIInChI=1S/C16H12N2O4/c1-22-13-7-6-9(10-4-2-3-5-11(10)13)8-12-14(19)17-16(21)18-15(12)20/h2-8H,1H3,(H2,17,18,19,20,21)
InChIKeyUCWJIJGZYBHIIH-UHFFFAOYSA-N
MW296.28 g/mol
LogP1.60
Rot. Bonds2

About 5-[(4-methoxynaphthalen-1-yl)methylidene]-1,3-diazinane-2,4,6-trione

5-[(4-methoxynaphthalen-1-yl)methylidene]-1,3-diazinane-2,4,6-trione (PubChem CID 2299862) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is 5-[(4-methoxynaphthalen-1-yl)methylidene]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[(4-methoxynaphthalen-1-yl)methylidene]-1,3-diazinane-2,4,6-trione
PubChem CID2299862
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC Name5-[(4-methoxynaphthalen-1-yl)methylidene]-1,3-diazinane-2,4,6-trione
SMILESCOc1ccc(C=C2C(=O)NC(=O)NC2=O)c2ccccc12
InChIInChI=1S/C16H12N2O4/c1-22-13-7-6-9(10-4-2-3-5-11(10)13)8-12-14(19)17-16(21)18-15(12)20/h2-8H,1H3,(H2,17,18,19,20,21)
InChIKeyUCWJIJGZYBHIIH-UHFFFAOYSA-N
XLogP1.60
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxynaphthalen-1-yl)methylidene]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[(4-methoxynaphthalen-1-yl)methylidene]-1,3-diazinane-2,4,6-trione (CID 2299862) is 5-[(4-methoxynaphthalen-1-yl)methylidene]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[(4-methoxynaphthalen-1-yl)methylidene]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[(4-methoxynaphthalen-1-yl)methylidene]-1,3-diazinane-2,4,6-trione is COc1ccc(C=C2C(=O)NC(=O)NC2=O)c2ccccc12.
What is the InChIKey of 5-[(4-methoxynaphthalen-1-yl)methylidene]-1,3-diazinane-2,4,6-trione?
The InChIKey is UCWJIJGZYBHIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4/c1-22-13-7-6-9(10-4-2-3-5-11(10)13)8-12-14(19)17-16(21)18-15(12)20/h2-8H,1H3,(H2,17,18,19,20,21).
What are the key properties of 5-[(4-methoxynaphthalen-1-yl)methylidene]-1,3-diazinane-2,4,6-trione?
5-[(4-methoxynaphthalen-1-yl)methylidene]-1,3-diazinane-2,4,6-trione has a molecular weight of 296.28 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxynaphthalen-1-yl)methylidene]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 2299862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).