[(3Z)-3-[[4-(3-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]urea

C20H16N4O3 — CID 23647598

IUPAC[(3Z)-3-[[4-(3-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]urea
SMILESNC(=O)Nc1ccc2c(c1)/C(=C/c1cc(-c3cccc(O)c3)c[nH]1)C(=O)N2
InChIInChI=1S/C20H16N4O3/c21-20(27)23-13-4-5-18-16(8-13)17(19(26)24-18)9-14-6-12(10-22-14)11-2-1-3-15(25)7-11/h1-10,22,25H,(H,24,26)(H3,21,23,27)/b17-9-
InChIKeyPFPJHXYCUWHBHV-MFOYZWKCSA-N
MW360.37 g/mol
LogP3.37
Rot. Bonds3

About [(3Z)-3-[[4-(3-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]urea

[(3Z)-3-[[4-(3-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]urea (PubChem CID 23647598) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is [(3Z)-3-[[4-(3-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]urea.

Molecular Properties

Compound Name[(3Z)-3-[[4-(3-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]urea
PubChem CID23647598
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC Name[(3Z)-3-[[4-(3-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]urea
SMILESNC(=O)Nc1ccc2c(c1)/C(=C/c1cc(-c3cccc(O)c3)c[nH]1)C(=O)N2
InChIInChI=1S/C20H16N4O3/c21-20(27)23-13-4-5-18-16(8-13)17(19(26)24-18)9-14-6-12(10-22-14)11-2-1-3-15(25)7-11/h1-10,22,25H,(H,24,26)(H3,21,23,27)/b17-9-
InChIKeyPFPJHXYCUWHBHV-MFOYZWKCSA-N
XLogP3.37
TPSA120.24 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3Z)-3-[[4-(3-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]urea?
The IUPAC name of [(3Z)-3-[[4-(3-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]urea (CID 23647598) is [(3Z)-3-[[4-(3-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]urea.
What is the SMILES notation for [(3Z)-3-[[4-(3-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]urea?
The canonical SMILES for [(3Z)-3-[[4-(3-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]urea is NC(=O)Nc1ccc2c(c1)/C(=C/c1cc(-c3cccc(O)c3)c[nH]1)C(=O)N2.
What is the InChIKey of [(3Z)-3-[[4-(3-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]urea?
The InChIKey is PFPJHXYCUWHBHV-MFOYZWKCSA-N. The full InChI is InChI=1S/C20H16N4O3/c21-20(27)23-13-4-5-18-16(8-13)17(19(26)24-18)9-14-6-12(10-22-14)11-2-1-3-15(25)7-11/h1-10,22,25H,(H,24,26)(H3,21,23,27)/b17-9-.
What are the key properties of [(3Z)-3-[[4-(3-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]urea?
[(3Z)-3-[[4-(3-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]urea has a molecular weight of 360.37 g/mol, XLogP of 3.37, 3 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-3-[[4-(3-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]urea is sourced from PubChem (CID 23647598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).