(5Z)-1-(3-chlorophenyl)-5-[(2,4-dihydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione

C17H11ClN2O5 — CID 5454193

IUPAC(5Z)-1-(3-chlorophenyl)-5-[(2,4-dihydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(O)cc1O
InChIInChI=1S/C17H11ClN2O5/c18-10-2-1-3-11(7-10)20-16(24)13(15(23)19-17(20)25)6-9-4-5-12(21)8-14(9)22/h1-8,21-22H,(H,19,23,25)/b13-6-
InChIKeyRFHBXOGHTUUZGW-MLPAPPSSSA-N
MW358.74 g/mol
LogP2.42
Rot. Bonds2

About (5Z)-1-(3-chlorophenyl)-5-[(2,4-dihydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione

(5Z)-1-(3-chlorophenyl)-5-[(2,4-dihydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione (PubChem CID 5454193) has the molecular formula C17H11ClN2O5 and a molecular weight of 358.74 g/mol. Its IUPAC name is (5Z)-1-(3-chlorophenyl)-5-[(2,4-dihydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name(5Z)-1-(3-chlorophenyl)-5-[(2,4-dihydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
PubChem CID5454193
Molecular FormulaC17H11ClN2O5
Molecular Weight358.74 g/mol
Exact Mass358.04
IUPAC Name(5Z)-1-(3-chlorophenyl)-5-[(2,4-dihydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(O)cc1O
InChIInChI=1S/C17H11ClN2O5/c18-10-2-1-3-11(7-10)20-16(24)13(15(23)19-17(20)25)6-9-4-5-12(21)8-14(9)22/h1-8,21-22H,(H,19,23,25)/b13-6-
InChIKeyRFHBXOGHTUUZGW-MLPAPPSSSA-N
XLogP2.42
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.74
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}

Analyze (5Z)-1-(3-chlorophenyl)-5-[(2,4-dihydroxyphenyl)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

5-[(3-chloro-4-hydroxyphenyl)methylidene]-1-(3-chlorophenyl)-1,3-diazinane-2,4,6-trione
CID 6614257
(5Z)-1-(3-chlorophenyl)-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 1347787
(5Z)-1-(4-chlorophenyl)-5-[(4-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 6935141
1-(4-chlorophenyl)-5-[(2,4-dichlorophenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 1237685
5-[(5-chloro-2-hydroxyphenyl)methylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 6795070
(5E)-1-(3-chlorophenyl)-5-[(4-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 126220796
4-[[4-chloro-2-[(E)-[1-(3-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid
CID 126072562
5-[(3-hydroxyphenyl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
CID 873245
(4E)-4-[(2,4-dihydroxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
CID 2248253
(5Z)-1-(3-chlorophenyl)-5-[(5-methyl-1-propan-2-ylpyrrol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 50857263
3-[2-[(E)-[1-(3-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]pyrrol-1-yl]benzoic acid
CID 126112172
[2-[(E)-[1-(3-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenyl] benzenesulfonate
CID 2185811

Frequently Asked Questions

What is the IUPAC name of (5Z)-1-(3-chlorophenyl)-5-[(2,4-dihydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione?
The IUPAC name of (5Z)-1-(3-chlorophenyl)-5-[(2,4-dihydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione (CID 5454193) is (5Z)-1-(3-chlorophenyl)-5-[(2,4-dihydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for (5Z)-1-(3-chlorophenyl)-5-[(2,4-dihydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for (5Z)-1-(3-chlorophenyl)-5-[(2,4-dihydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione is O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(O)cc1O.
What is the InChIKey of (5Z)-1-(3-chlorophenyl)-5-[(2,4-dihydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione?
The InChIKey is RFHBXOGHTUUZGW-MLPAPPSSSA-N. The full InChI is InChI=1S/C17H11ClN2O5/c18-10-2-1-3-11(7-10)20-16(24)13(15(23)19-17(20)25)6-9-4-5-12(21)8-14(9)22/h1-8,21-22H,(H,19,23,25)/b13-6-.
What are the key properties of (5Z)-1-(3-chlorophenyl)-5-[(2,4-dihydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione?
(5Z)-1-(3-chlorophenyl)-5-[(2,4-dihydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione has a molecular weight of 358.74 g/mol, XLogP of 2.42, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-1-(3-chlorophenyl)-5-[(2,4-dihydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 5454193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).