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

C23H18N2O4 — CID 2201874

IUPAC(5E)-5-[(2-methoxynaphthalen-1-yl)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
SMILESCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccccc2C)C1=O
InChIInChI=1S/C23H18N2O4/c1-14-7-3-6-10-19(14)25-22(27)18(21(26)24-23(25)28)13-17-16-9-5-4-8-15(16)11-12-20(17)29-2/h3-13H,1-2H3,(H,24,26,28)/b18-13+
InChIKeyMTYSLPMEMLAHCJ-QGOAFFKASA-N
MW386.41 g/mol
LogP3.82
Rot. Bonds3

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

(5E)-5-[(2-methoxynaphthalen-1-yl)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione (PubChem CID 2201874) has the molecular formula C23H18N2O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is (5E)-5-[(2-methoxynaphthalen-1-yl)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name(5E)-5-[(2-methoxynaphthalen-1-yl)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
PubChem CID2201874
Molecular FormulaC23H18N2O4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC Name(5E)-5-[(2-methoxynaphthalen-1-yl)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
SMILESCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccccc2C)C1=O
InChIInChI=1S/C23H18N2O4/c1-14-7-3-6-10-19(14)25-22(27)18(21(26)24-23(25)28)13-17-16-9-5-4-8-15(16)11-12-20(17)29-2/h3-13H,1-2H3,(H,24,26,28)/b18-13+
InChIKeyMTYSLPMEMLAHCJ-QGOAFFKASA-N
XLogP3.82
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
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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Related Compounds

(5E)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 21377441
(5Z)-1-(2-fluorophenyl)-5-[(2-methoxynaphthalen-1-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 1337491
(5E)-5-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 21378007
(5Z)-1-(3,5-dimethylphenyl)-5-[(2-methoxynaphthalen-1-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 6104871
(5Z)-5-[(2-methoxynaphthalen-1-yl)methylidene]-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 2201966
2-[[1-[(E)-[1-(2-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]naphthalen-2-yl]oxymethyl]benzonitrile
CID 21378017
(5E)-5-[(2-methoxynaphthalen-1-yl)methylidene]-1-(3-methoxyphenyl)-1,3-diazinane-2,4,6-trione
CID 2304825
(5E)-5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 21377610
(5Z)-5-[(4-ethoxy-3-iodo-5-methoxyphenyl)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 21377449
(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 2288321
1-(4-chlorophenyl)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 3125421
(5Z)-5-[(2-methoxynaphthalen-1-yl)methylidene]-1-(4-propan-2-ylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 126245605

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(2-methoxynaphthalen-1-yl)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of (5E)-5-[(2-methoxynaphthalen-1-yl)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione (CID 2201874) is (5E)-5-[(2-methoxynaphthalen-1-yl)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for (5E)-5-[(2-methoxynaphthalen-1-yl)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for (5E)-5-[(2-methoxynaphthalen-1-yl)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione is COc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccccc2C)C1=O.
What is the InChIKey of (5E)-5-[(2-methoxynaphthalen-1-yl)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is MTYSLPMEMLAHCJ-QGOAFFKASA-N. The full InChI is InChI=1S/C23H18N2O4/c1-14-7-3-6-10-19(14)25-22(27)18(21(26)24-23(25)28)13-17-16-9-5-4-8-15(16)11-12-20(17)29-2/h3-13H,1-2H3,(H,24,26,28)/b18-13+.
What are the key properties of (5E)-5-[(2-methoxynaphthalen-1-yl)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione?
(5E)-5-[(2-methoxynaphthalen-1-yl)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 386.41 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(2-methoxynaphthalen-1-yl)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 2201874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).