(5E)-1-(1,3-benzodioxol-5-ylmethyl)-5-[(2-methoxy-4-morpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione

C24H23N3O7 — CID 1275838

IUPAC(5E)-1-(1,3-benzodioxol-5-ylmethyl)-5-[(2-methoxy-4-morpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
SMILESCOc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O
InChIInChI=1S/C24H23N3O7/c1-31-20-12-17(26-6-8-32-9-7-26)4-3-16(20)11-18-22(28)25-24(30)27(23(18)29)13-15-2-5-19-21(10-15)34-14-33-19/h2-5,10-12H,6-9,13-14H2,1H3,(H,25,28,30)/b18-11+
InChIKeyCQSYKKLEEVTUHC-WOJGMQOQSA-N
MW465.46 g/mol
LogP1.92
Rot. Bonds5

About (5E)-1-(1,3-benzodioxol-5-ylmethyl)-5-[(2-methoxy-4-morpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione

(5E)-1-(1,3-benzodioxol-5-ylmethyl)-5-[(2-methoxy-4-morpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione (PubChem CID 1275838) has the molecular formula C24H23N3O7 and a molecular weight of 465.46 g/mol. Its IUPAC name is (5E)-1-(1,3-benzodioxol-5-ylmethyl)-5-[(2-methoxy-4-morpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name(5E)-1-(1,3-benzodioxol-5-ylmethyl)-5-[(2-methoxy-4-morpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
PubChem CID1275838
Molecular FormulaC24H23N3O7
Molecular Weight465.46 g/mol
Exact Mass465.15
IUPAC Name(5E)-1-(1,3-benzodioxol-5-ylmethyl)-5-[(2-methoxy-4-morpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
SMILESCOc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O
InChIInChI=1S/C24H23N3O7/c1-31-20-12-17(26-6-8-32-9-7-26)4-3-16(20)11-18-22(28)25-24(30)27(23(18)29)13-15-2-5-19-21(10-15)34-14-33-19/h2-5,10-12H,6-9,13-14H2,1H3,(H,25,28,30)/b18-11+
InChIKeyCQSYKKLEEVTUHC-WOJGMQOQSA-N
XLogP1.92
TPSA106.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.46
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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'}

Analyze (5E)-1-(1,3-benzodioxol-5-ylmethyl)-5-[(2-methoxy-4-morpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione with MolForge

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

Launch Full Analysis

Related Compounds

Jte-907
CID 9867770
N-(1,3-benzodioxol-5-ylmethyl)-7-methoxy-1-methyl-2-oxo-8-pentoxyquinoline-3-carboxamide
CID 23555607
N-(1,3-benzodioxol-5-ylmethyl)-8-ethoxy-7-methoxy-2-oxo-1H-quinoline-3-carboxamide
CID 23555616
1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylphenyl)-1-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]urea
CID 648114
1-(3-Diethylamino-propyl)-3-(2-methoxy-phenyl)-1-(6-oxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinolin-7-ylmethyl)-urea
CID 648310
3-(4-methylphenyl)-1-(3-morpholin-4-ylpropyl)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]urea
CID 648406
3-(2-Methoxy-phenyl)-1-(3-morpholin-4-yl-propyl)-1-(6-oxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinolin-7-ylmethyl)-urea
CID 650197
3-Benzyl-1-(6-oxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinolin-7-ylmethyl)-1-(tetrahydro-furan-2-ylmethyl)-urea
CID 651194
3-Cyclohexyl-1-(4-methoxy-benzyl)-1-(6-oxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinolin-7-ylmethyl)-urea
CID 654836
1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-N-(3-isopropoxyphenyl)-2-oxo-1,2-dihydro-3-pyridinecarboxamide
CID 1478512
5-[[2-Methoxy-4-(4-morpholinyl)phenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 2291919
1-cyclohexyl-5-[2-methoxy-4-(4-morpholinyl)benzylidene]-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 2292611

Frequently Asked Questions

What is the IUPAC name of (5E)-1-(1,3-benzodioxol-5-ylmethyl)-5-[(2-methoxy-4-morpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione?
The IUPAC name of (5E)-1-(1,3-benzodioxol-5-ylmethyl)-5-[(2-methoxy-4-morpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione (CID 1275838) is (5E)-1-(1,3-benzodioxol-5-ylmethyl)-5-[(2-methoxy-4-morpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for (5E)-1-(1,3-benzodioxol-5-ylmethyl)-5-[(2-methoxy-4-morpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for (5E)-1-(1,3-benzodioxol-5-ylmethyl)-5-[(2-methoxy-4-morpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione is COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O.
What is the InChIKey of (5E)-1-(1,3-benzodioxol-5-ylmethyl)-5-[(2-methoxy-4-morpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione?
The InChIKey is CQSYKKLEEVTUHC-WOJGMQOQSA-N. The full InChI is InChI=1S/C24H23N3O7/c1-31-20-12-17(26-6-8-32-9-7-26)4-3-16(20)11-18-22(28)25-24(30)27(23(18)29)13-15-2-5-19-21(10-15)34-14-33-19/h2-5,10-12H,6-9,13-14H2,1H3,(H,25,28,30)/b18-11+.
What are the key properties of (5E)-1-(1,3-benzodioxol-5-ylmethyl)-5-[(2-methoxy-4-morpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione?
(5E)-1-(1,3-benzodioxol-5-ylmethyl)-5-[(2-methoxy-4-morpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione has a molecular weight of 465.46 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-1-(1,3-benzodioxol-5-ylmethyl)-5-[(2-methoxy-4-morpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 1275838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).