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

C21H18N4O3 — CID 23647599

IUPAC[(3Z)-3-[[4-(3-methoxyphenyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]urea
SMILESCOc1cccc(-c2c[nH]c(/C=C3\C(=O)Nc4ccc(NC(N)=O)cc43)c2)c1
InChIInChI=1S/C21H18N4O3/c1-28-16-4-2-3-12(8-16)13-7-15(23-11-13)10-18-17-9-14(24-21(22)27)5-6-19(17)25-20(18)26/h2-11,23H,1H3,(H,25,26)(H3,22,24,27)/b18-10-
InChIKeyRULBQJYTXYLQOK-ZDLGFXPLSA-N
MW374.40 g/mol
LogP3.67
Rot. Bonds4

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

[(3Z)-3-[[4-(3-methoxyphenyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]urea (PubChem CID 23647599) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is [(3Z)-3-[[4-(3-methoxyphenyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]urea.

Molecular Properties

Compound Name[(3Z)-3-[[4-(3-methoxyphenyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]urea
PubChem CID23647599
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name[(3Z)-3-[[4-(3-methoxyphenyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]urea
SMILESCOc1cccc(-c2c[nH]c(/C=C3\C(=O)Nc4ccc(NC(N)=O)cc43)c2)c1
InChIInChI=1S/C21H18N4O3/c1-28-16-4-2-3-12(8-16)13-7-15(23-11-13)10-18-17-9-14(24-21(22)27)5-6-19(17)25-20(18)26/h2-11,23H,1H3,(H,25,26)(H3,22,24,27)/b18-10-
InChIKeyRULBQJYTXYLQOK-ZDLGFXPLSA-N
XLogP3.67
TPSA109.24 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(3Z)-3-[[4-(3-methoxyphenyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]urea with MolForge

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Related Compounds

Go 6983
CID 3499
Del-22379
CID 11224574
A-432411
CID 10125830
5-methoxy-3-[N-(4-(4-fluoro-phenyl)-4-oxo-butyl)-1,2,5,6-tetrahydro-pyridin-3-ylmethyl]-1H-indole
CID 9866050
3-(5-methoxy-1-methyl-1H-indol-3-yl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327674
3-Substituted indolin-2-one 9d
CID 5329137
3-Substituted indolin-2-one 11d
CID 5329141
3-Substituted indolin-2-one 11f
CID 5329143
3-Substituted indolin-2-one 11g
CID 5329144
3-Substituted indolin-2-one 11h
CID 5329145
3-Substituted indolin-2-one 16g
CID 5329151
Indolin-2-one deriv. 9g
CID 5329169

Frequently Asked Questions

What is the IUPAC name of [(3Z)-3-[[4-(3-methoxyphenyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]urea?
The IUPAC name of [(3Z)-3-[[4-(3-methoxyphenyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]urea (CID 23647599) is [(3Z)-3-[[4-(3-methoxyphenyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]urea.
What is the SMILES notation for [(3Z)-3-[[4-(3-methoxyphenyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]urea?
The canonical SMILES for [(3Z)-3-[[4-(3-methoxyphenyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]urea is COc1cccc(-c2c[nH]c(/C=C3\C(=O)Nc4ccc(NC(N)=O)cc43)c2)c1.
What is the InChIKey of [(3Z)-3-[[4-(3-methoxyphenyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]urea?
The InChIKey is RULBQJYTXYLQOK-ZDLGFXPLSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-28-16-4-2-3-12(8-16)13-7-15(23-11-13)10-18-17-9-14(24-21(22)27)5-6-19(17)25-20(18)26/h2-11,23H,1H3,(H,25,26)(H3,22,24,27)/b18-10-.
What are the key properties of [(3Z)-3-[[4-(3-methoxyphenyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]urea?
[(3Z)-3-[[4-(3-methoxyphenyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]urea has a molecular weight of 374.40 g/mol, XLogP of 3.67, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-3-[[4-(3-methoxyphenyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]urea is sourced from PubChem (CID 23647599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).