(1E)-1-(1-hydroxyquinolin-5-ylidene)-3-phenylurea

C16H13N3O2 — CID 134113276

IUPAC(1E)-1-(1-hydroxyquinolin-5-ylidene)-3-phenylurea
SMILESO=C(/N=c1\cccc2n(O)cccc1-2)Nc1ccccc1
InChIInChI=1S/C16H13N3O2/c20-16(17-12-6-2-1-3-7-12)18-14-9-4-10-15-13(14)8-5-11-19(15)21/h1-11,21H,(H,17,20)/b18-14+
InChIKeyVIIMGQTVPKFBBS-NBVRZTHBSA-N
MW279.30 g/mol
LogP2.96
Rot. Bonds1

About (1E)-1-(1-hydroxyquinolin-5-ylidene)-3-phenylurea

(1E)-1-(1-hydroxyquinolin-5-ylidene)-3-phenylurea (PubChem CID 134113276) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is (1E)-1-(1-hydroxyquinolin-5-ylidene)-3-phenylurea.

Molecular Properties

Compound Name(1E)-1-(1-hydroxyquinolin-5-ylidene)-3-phenylurea
PubChem CID134113276
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name(1E)-1-(1-hydroxyquinolin-5-ylidene)-3-phenylurea
SMILESO=C(/N=c1\cccc2n(O)cccc1-2)Nc1ccccc1
InChIInChI=1S/C16H13N3O2/c20-16(17-12-6-2-1-3-7-12)18-14-9-4-10-15-13(14)8-5-11-19(15)21/h1-11,21H,(H,17,20)/b18-14+
InChIKeyVIIMGQTVPKFBBS-NBVRZTHBSA-N
XLogP2.96
TPSA66.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

(1Z)-1-(1-hydroxy-2-phenyl-4-pyridinylidene)-3-phenylurea
CID 134097848
1-(1-hydroxy-2-methyl-4-pyridinylidene)-3-phenylurea
CID 54070564
1-(2-hydroxypyridazin-3-ylidene)-3-phenylurea
CID 54374887
(1Z)-1-[2-(benzenesulfonyl)-1-hydroxy-4-pyridinylidene]-3-phenylurea
CID 134095397
(1Z)-1-[2-(1,1,2,2,3,3,3-heptafluoropropyl)-1-hydroxy-4-pyridinylidene]-3-phenylurea
CID 134122504
(1Z)-1-(1-methyl-1-oxo-1,2-benzothiazol-3-ylidene)-3-phenylurea
CID 6280071
phenylcarbamothioic S-acid;hydrofluoride
CID 175225521
(1Z)-1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-phenylurea
CID 137225686
(1E)-1-(4-oxo-1,3-thiazolidin-2-ylidene)-3-phenylurea
CID 135501318
(3E)-1-(4-chlorophenyl)-3-(2-phenyl-3H-isoindol-1-ylidene)urea
CID 171977613
1-(1-hydroxy-2-oxo-4-pyridinyl)-3-phenylurea;hydrochloride
CID 134121177
cobalt;N-phenylacetamide
CID 158689050

Frequently Asked Questions

What is the IUPAC name of (1E)-1-(1-hydroxyquinolin-5-ylidene)-3-phenylurea?
The IUPAC name of (1E)-1-(1-hydroxyquinolin-5-ylidene)-3-phenylurea (CID 134113276) is (1E)-1-(1-hydroxyquinolin-5-ylidene)-3-phenylurea.
What is the SMILES notation for (1E)-1-(1-hydroxyquinolin-5-ylidene)-3-phenylurea?
The canonical SMILES for (1E)-1-(1-hydroxyquinolin-5-ylidene)-3-phenylurea is O=C(/N=c1\cccc2n(O)cccc1-2)Nc1ccccc1.
What is the InChIKey of (1E)-1-(1-hydroxyquinolin-5-ylidene)-3-phenylurea?
The InChIKey is VIIMGQTVPKFBBS-NBVRZTHBSA-N. The full InChI is InChI=1S/C16H13N3O2/c20-16(17-12-6-2-1-3-7-12)18-14-9-4-10-15-13(14)8-5-11-19(15)21/h1-11,21H,(H,17,20)/b18-14+.
What are the key properties of (1E)-1-(1-hydroxyquinolin-5-ylidene)-3-phenylurea?
(1E)-1-(1-hydroxyquinolin-5-ylidene)-3-phenylurea has a molecular weight of 279.30 g/mol, XLogP of 2.96, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-(1-hydroxyquinolin-5-ylidene)-3-phenylurea is sourced from PubChem (CID 134113276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).