(5Z)-5-[(4-morpholin-4-ylphenyl)methylidene]-1-naphthalen-2-yl-1,3-diazinane-2,4,6-trione

C25H21N3O4 — CID 2292518

IUPAC(5Z)-5-[(4-morpholin-4-ylphenyl)methylidene]-1-naphthalen-2-yl-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)N(c2ccc3ccccc3c2)C(=O)/C1=C\c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C25H21N3O4/c29-23-22(15-17-5-8-20(9-6-17)27-11-13-32-14-12-27)24(30)28(25(31)26-23)21-10-7-18-3-1-2-4-19(18)16-21/h1-10,15-16H,11-14H2,(H,26,29,31)/b22-15-
InChIKeyMCFCLWUNIHXTOW-JCMHNJIXSA-N
MW427.46 g/mol
LogP3.34
Rot. Bonds3

About (5Z)-5-[(4-morpholin-4-ylphenyl)methylidene]-1-naphthalen-2-yl-1,3-diazinane-2,4,6-trione

(5Z)-5-[(4-morpholin-4-ylphenyl)methylidene]-1-naphthalen-2-yl-1,3-diazinane-2,4,6-trione (PubChem CID 2292518) has the molecular formula C25H21N3O4 and a molecular weight of 427.46 g/mol. Its IUPAC name is (5Z)-5-[(4-morpholin-4-ylphenyl)methylidene]-1-naphthalen-2-yl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name(5Z)-5-[(4-morpholin-4-ylphenyl)methylidene]-1-naphthalen-2-yl-1,3-diazinane-2,4,6-trione
PubChem CID2292518
Molecular FormulaC25H21N3O4
Molecular Weight427.46 g/mol
Exact Mass427.15
IUPAC Name(5Z)-5-[(4-morpholin-4-ylphenyl)methylidene]-1-naphthalen-2-yl-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)N(c2ccc3ccccc3c2)C(=O)/C1=C\c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C25H21N3O4/c29-23-22(15-17-5-8-20(9-6-17)27-11-13-32-14-12-27)24(30)28(25(31)26-23)21-10-7-18-3-1-2-4-19(18)16-21/h1-10,15-16H,11-14H2,(H,26,29,31)/b22-15-
InChIKeyMCFCLWUNIHXTOW-JCMHNJIXSA-N
XLogP3.34
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_B(251)', '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

1-(3,4-dimethylphenyl)-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 3298178
(5Z)-1-(2-methoxyphenyl)-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 6229481
(5Z)-1-benzyl-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 2293133
(3Z)-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one
CID 2379240
(5E)-1-(3,4-dimethylphenyl)-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 126114509
(5Z)-1-(3-bromophenyl)-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 1302770
(5E)-1-(4-chlorophenyl)-5-[(4-morpholin-4-ylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 1323842
(5E)-1-(4-chlorophenyl)-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 2201904
5-[[2,5-dimethyl-1-(4-morpholin-4-ylphenyl)pyrrol-3-yl]methylidene]-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 75572457
(5E)-5-[[2,5-dimethyl-1-(4-morpholin-4-ylphenyl)pyrrol-3-yl]methylidene]-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 50874287
(5E)-1-(3-ethoxyphenyl)-5-[(2-methoxy-4-morpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 126241365
(5E)-1-(3-bromophenyl)-5-[(2-methoxy-4-morpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 126248791

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-morpholin-4-ylphenyl)methylidene]-1-naphthalen-2-yl-1,3-diazinane-2,4,6-trione?
The IUPAC name of (5Z)-5-[(4-morpholin-4-ylphenyl)methylidene]-1-naphthalen-2-yl-1,3-diazinane-2,4,6-trione (CID 2292518) is (5Z)-5-[(4-morpholin-4-ylphenyl)methylidene]-1-naphthalen-2-yl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for (5Z)-5-[(4-morpholin-4-ylphenyl)methylidene]-1-naphthalen-2-yl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for (5Z)-5-[(4-morpholin-4-ylphenyl)methylidene]-1-naphthalen-2-yl-1,3-diazinane-2,4,6-trione is O=C1NC(=O)N(c2ccc3ccccc3c2)C(=O)/C1=C\c1ccc(N2CCOCC2)cc1.
What is the InChIKey of (5Z)-5-[(4-morpholin-4-ylphenyl)methylidene]-1-naphthalen-2-yl-1,3-diazinane-2,4,6-trione?
The InChIKey is MCFCLWUNIHXTOW-JCMHNJIXSA-N. The full InChI is InChI=1S/C25H21N3O4/c29-23-22(15-17-5-8-20(9-6-17)27-11-13-32-14-12-27)24(30)28(25(31)26-23)21-10-7-18-3-1-2-4-19(18)16-21/h1-10,15-16H,11-14H2,(H,26,29,31)/b22-15-.
What are the key properties of (5Z)-5-[(4-morpholin-4-ylphenyl)methylidene]-1-naphthalen-2-yl-1,3-diazinane-2,4,6-trione?
(5Z)-5-[(4-morpholin-4-ylphenyl)methylidene]-1-naphthalen-2-yl-1,3-diazinane-2,4,6-trione has a molecular weight of 427.46 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-morpholin-4-ylphenyl)methylidene]-1-naphthalen-2-yl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 2292518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).