5-[(2-hydroxyphenyl)methylidene]-1,3-bis(4-methylphenyl)-1,3-diazinane-2,4,6-trione

C25H20N2O4 — CID 6003213

IUPAC5-[(2-hydroxyphenyl)methylidene]-1,3-bis(4-methylphenyl)-1,3-diazinane-2,4,6-trione
SMILESCc1ccc(N2C(=O)C(=Cc3ccccc3O)C(=O)N(c3ccc(C)cc3)C2=O)cc1
InChIInChI=1S/C25H20N2O4/c1-16-7-11-19(12-8-16)26-23(29)21(15-18-5-3-4-6-22(18)28)24(30)27(25(26)31)20-13-9-17(2)10-14-20/h3-15,28H,1-2H3
InChIKeyJNZQPOKPSZKLPT-UHFFFAOYSA-N
MW412.45 g/mol
LogP4.59
Rot. Bonds3

About 5-[(2-hydroxyphenyl)methylidene]-1,3-bis(4-methylphenyl)-1,3-diazinane-2,4,6-trione

5-[(2-hydroxyphenyl)methylidene]-1,3-bis(4-methylphenyl)-1,3-diazinane-2,4,6-trione (PubChem CID 6003213) has the molecular formula C25H20N2O4 and a molecular weight of 412.45 g/mol. Its IUPAC name is 5-[(2-hydroxyphenyl)methylidene]-1,3-bis(4-methylphenyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[(2-hydroxyphenyl)methylidene]-1,3-bis(4-methylphenyl)-1,3-diazinane-2,4,6-trione
PubChem CID6003213
Molecular FormulaC25H20N2O4
Molecular Weight412.45 g/mol
Exact Mass412.14
IUPAC Name5-[(2-hydroxyphenyl)methylidene]-1,3-bis(4-methylphenyl)-1,3-diazinane-2,4,6-trione
SMILESCc1ccc(N2C(=O)C(=Cc3ccccc3O)C(=O)N(c3ccc(C)cc3)C2=O)cc1
InChIInChI=1S/C25H20N2O4/c1-16-7-11-19(12-8-16)26-23(29)21(15-18-5-3-4-6-22(18)28)24(30)27(25(26)31)20-13-9-17(2)10-14-20/h3-15,28H,1-2H3
InChIKeyJNZQPOKPSZKLPT-UHFFFAOYSA-N
XLogP4.59
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 54.59
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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Frequently Asked Questions

What is the IUPAC name of 5-[(2-hydroxyphenyl)methylidene]-1,3-bis(4-methylphenyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[(2-hydroxyphenyl)methylidene]-1,3-bis(4-methylphenyl)-1,3-diazinane-2,4,6-trione (CID 6003213) is 5-[(2-hydroxyphenyl)methylidene]-1,3-bis(4-methylphenyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[(2-hydroxyphenyl)methylidene]-1,3-bis(4-methylphenyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[(2-hydroxyphenyl)methylidene]-1,3-bis(4-methylphenyl)-1,3-diazinane-2,4,6-trione is Cc1ccc(N2C(=O)C(=Cc3ccccc3O)C(=O)N(c3ccc(C)cc3)C2=O)cc1.
What is the InChIKey of 5-[(2-hydroxyphenyl)methylidene]-1,3-bis(4-methylphenyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is JNZQPOKPSZKLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O4/c1-16-7-11-19(12-8-16)26-23(29)21(15-18-5-3-4-6-22(18)28)24(30)27(25(26)31)20-13-9-17(2)10-14-20/h3-15,28H,1-2H3.
What are the key properties of 5-[(2-hydroxyphenyl)methylidene]-1,3-bis(4-methylphenyl)-1,3-diazinane-2,4,6-trione?
5-[(2-hydroxyphenyl)methylidene]-1,3-bis(4-methylphenyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 412.45 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxyphenyl)methylidene]-1,3-bis(4-methylphenyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 6003213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).