5-[[2-[(3-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]-1-(4-hydroxyphenyl)-1,3-diazinane-2,4,6-trione

C28H19FN2O5 — CID 2900460

IUPAC5-[[2-[(3-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]-1-(4-hydroxyphenyl)-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)N(c2ccc(O)cc2)C(=O)C1=Cc1c(OCc2cccc(F)c2)ccc2ccccc12
InChIInChI=1S/C28H19FN2O5/c29-19-6-3-4-17(14-19)16-36-25-13-8-18-5-1-2-7-22(18)23(25)15-24-26(33)30-28(35)31(27(24)34)20-9-11-21(32)12-10-20/h1-15,32H,16H2,(H,30,33,35)
InChIKeyLJBVRPYQHRRXEL-UHFFFAOYSA-N
MW482.47 g/mol
LogP4.93
Rot. Bonds5

About 5-[[2-[(3-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]-1-(4-hydroxyphenyl)-1,3-diazinane-2,4,6-trione

5-[[2-[(3-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]-1-(4-hydroxyphenyl)-1,3-diazinane-2,4,6-trione (PubChem CID 2900460) has the molecular formula C28H19FN2O5 and a molecular weight of 482.47 g/mol. Its IUPAC name is 5-[[2-[(3-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]-1-(4-hydroxyphenyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[[2-[(3-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]-1-(4-hydroxyphenyl)-1,3-diazinane-2,4,6-trione
PubChem CID2900460
Molecular FormulaC28H19FN2O5
Molecular Weight482.47 g/mol
Exact Mass482.13
IUPAC Name5-[[2-[(3-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]-1-(4-hydroxyphenyl)-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)N(c2ccc(O)cc2)C(=O)C1=Cc1c(OCc2cccc(F)c2)ccc2ccccc12
InChIInChI=1S/C28H19FN2O5/c29-19-6-3-4-17(14-19)16-36-25-13-8-18-5-1-2-7-22(18)23(25)15-24-26(33)30-28(35)31(27(24)34)20-9-11-21(32)12-10-20/h1-15,32H,16H2,(H,30,33,35)
InChIKeyLJBVRPYQHRRXEL-UHFFFAOYSA-N
XLogP4.93
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.47
LogP ≤ 54.93
H-Bond Donors ≤ 52
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'}

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Related Compounds

(5E)-5-[[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1-(4-hydroxyphenyl)-1,3-diazinane-2,4,6-trione
CID 1343089
(5E)-5-[[3-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1-(4-ethylphenyl)-1,3-diazinane-2,4,6-trione
CID 2300671
1-(4-chlorophenyl)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 3125421
(5E)-1-(4-ethoxyphenyl)-5-[[4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 2294889
(5E)-5-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 126387312
(5E)-5-[[3,5-dibromo-4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione
CID 126049479
(5E)-5-[[3,5-dibromo-4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1-(4-phenylmethoxyphenyl)-1,3-diazinane-2,4,6-trione
CID 126050508
(5E)-1-(4-chlorophenyl)-5-[[3,5-dichloro-2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 126060837
(5E)-5-[(2-methoxynaphthalen-1-yl)methylidene]-1-(3-methoxyphenyl)-1,3-diazinane-2,4,6-trione
CID 2304825
(5E)-5-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 21378007
(5E)-5-[[3,5-dichloro-2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione
CID 126050854
(5E)-5-[[3-ethoxy-4-[(3-fluorophenyl)methoxy]-5-prop-2-enylphenyl]methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
CID 126081555

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[(3-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]-1-(4-hydroxyphenyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[[2-[(3-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]-1-(4-hydroxyphenyl)-1,3-diazinane-2,4,6-trione (CID 2900460) is 5-[[2-[(3-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]-1-(4-hydroxyphenyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[[2-[(3-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]-1-(4-hydroxyphenyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[[2-[(3-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]-1-(4-hydroxyphenyl)-1,3-diazinane-2,4,6-trione is O=C1NC(=O)N(c2ccc(O)cc2)C(=O)C1=Cc1c(OCc2cccc(F)c2)ccc2ccccc12.
What is the InChIKey of 5-[[2-[(3-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]-1-(4-hydroxyphenyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is LJBVRPYQHRRXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19FN2O5/c29-19-6-3-4-17(14-19)16-36-25-13-8-18-5-1-2-7-22(18)23(25)15-24-26(33)30-28(35)31(27(24)34)20-9-11-21(32)12-10-20/h1-15,32H,16H2,(H,30,33,35).
What are the key properties of 5-[[2-[(3-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]-1-(4-hydroxyphenyl)-1,3-diazinane-2,4,6-trione?
5-[[2-[(3-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]-1-(4-hydroxyphenyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 482.47 g/mol, XLogP of 4.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[(3-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]-1-(4-hydroxyphenyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 2900460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).