(5E)-5-[(4-methoxy-3-methylphenyl)methylidene]-2-methylidene-1-phenyl-1,3-diazinane-4,6-dione

C20H18N2O3 — CID 90145488

IUPAC(5E)-5-[(4-methoxy-3-methylphenyl)methylidene]-2-methylidene-1-phenyl-1,3-diazinane-4,6-dione
SMILESC=c1[nH]c(=O)/c(=C\c2ccc(OC)c(C)c2)c(=O)n1-c1ccccc1
InChIInChI=1S/C20H18N2O3/c1-13-11-15(9-10-18(13)25-3)12-17-19(23)21-14(2)22(20(17)24)16-7-5-4-6-8-16/h4-12H,2H2,1,3H3,(H,21,23)/b17-12+
InChIKeyMQYRVXYBTYUMQA-SFQUDFHCSA-N
MW334.38 g/mol
LogP1.08
Rot. Bonds3

About (5E)-5-[(4-methoxy-3-methylphenyl)methylidene]-2-methylidene-1-phenyl-1,3-diazinane-4,6-dione

(5E)-5-[(4-methoxy-3-methylphenyl)methylidene]-2-methylidene-1-phenyl-1,3-diazinane-4,6-dione (PubChem CID 90145488) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is (5E)-5-[(4-methoxy-3-methylphenyl)methylidene]-2-methylidene-1-phenyl-1,3-diazinane-4,6-dione.

Molecular Properties

Compound Name(5E)-5-[(4-methoxy-3-methylphenyl)methylidene]-2-methylidene-1-phenyl-1,3-diazinane-4,6-dione
PubChem CID90145488
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name(5E)-5-[(4-methoxy-3-methylphenyl)methylidene]-2-methylidene-1-phenyl-1,3-diazinane-4,6-dione
SMILESC=c1[nH]c(=O)/c(=C\c2ccc(OC)c(C)c2)c(=O)n1-c1ccccc1
InChIInChI=1S/C20H18N2O3/c1-13-11-15(9-10-18(13)25-3)12-17-19(23)21-14(2)22(20(17)24)16-7-5-4-6-8-16/h4-12H,2H2,1,3H3,(H,21,23)/b17-12+
InChIKeyMQYRVXYBTYUMQA-SFQUDFHCSA-N
XLogP1.08
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5E)-5-[(4-methoxy-3-methylphenyl)methylidene]-2-methylidene-1-phenyl-1,3-diazinane-4,6-dione 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

2-methoxy-5-[(Z)-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)methyl]benzoate
CID 2180854
(5Z)-5-benzylidene-1-methyl-2-methylidene-1,3-diazinane-4,6-dione
CID 143386373
5-[(4-methoxy-3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 54114505
5-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]-2-methylidene-1,3-diazinane-4,6-dione
CID 59723685
(5E)-1-benzyl-5-[(4-methoxy-3-methylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 1345490
(5E)-5-[(4-methoxy-3-methylphenyl)methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
CID 126109329
(4E)-2-ethyl-4-[(4-methoxy-3-methylphenyl)methylidene]-1H-imidazol-5-one
CID 136895193
(4E)-4-[(4-methoxy-3-methylphenyl)methylidene]-2-(2-phenylethyl)-1,3-oxazol-5-one
CID 108937231
(2E,3E)-2,3-bis[(4-methoxy-3-methylphenyl)methylidene]butanedioic acid
CID 10339857
(5Z)-5-[(3-bromo-4-methoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 1348525
(4E)-2-(3-bromophenyl)-4-[(3,4-dimethoxyphenyl)methylidene]-5-methylidenepyrazolidin-3-one
CID 2058463
(4E)-2-ethyl-4-[(4-methoxy-3-methylphenyl)methylidene]-1,3-oxazol-5-one
CID 108937200

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(4-methoxy-3-methylphenyl)methylidene]-2-methylidene-1-phenyl-1,3-diazinane-4,6-dione?
The IUPAC name of (5E)-5-[(4-methoxy-3-methylphenyl)methylidene]-2-methylidene-1-phenyl-1,3-diazinane-4,6-dione (CID 90145488) is (5E)-5-[(4-methoxy-3-methylphenyl)methylidene]-2-methylidene-1-phenyl-1,3-diazinane-4,6-dione.
What is the SMILES notation for (5E)-5-[(4-methoxy-3-methylphenyl)methylidene]-2-methylidene-1-phenyl-1,3-diazinane-4,6-dione?
The canonical SMILES for (5E)-5-[(4-methoxy-3-methylphenyl)methylidene]-2-methylidene-1-phenyl-1,3-diazinane-4,6-dione is C=c1[nH]c(=O)/c(=C\c2ccc(OC)c(C)c2)c(=O)n1-c1ccccc1.
What is the InChIKey of (5E)-5-[(4-methoxy-3-methylphenyl)methylidene]-2-methylidene-1-phenyl-1,3-diazinane-4,6-dione?
The InChIKey is MQYRVXYBTYUMQA-SFQUDFHCSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-13-11-15(9-10-18(13)25-3)12-17-19(23)21-14(2)22(20(17)24)16-7-5-4-6-8-16/h4-12H,2H2,1,3H3,(H,21,23)/b17-12+.
What are the key properties of (5E)-5-[(4-methoxy-3-methylphenyl)methylidene]-2-methylidene-1-phenyl-1,3-diazinane-4,6-dione?
(5E)-5-[(4-methoxy-3-methylphenyl)methylidene]-2-methylidene-1-phenyl-1,3-diazinane-4,6-dione has a molecular weight of 334.38 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(4-methoxy-3-methylphenyl)methylidene]-2-methylidene-1-phenyl-1,3-diazinane-4,6-dione is sourced from PubChem (CID 90145488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).