(3E)-5-hydroxy-3-[[6-[(E)-(5-hydroxy-2-oxo-1H-indol-3-ylidene)methyl]-2-pyridinyl]methylidene]-1H-indol-2-one

C23H15N3O4 — CID 24950374

IUPAC(3E)-5-hydroxy-3-[[6-[(E)-(5-hydroxy-2-oxo-1H-indol-3-ylidene)methyl]-2-pyridinyl]methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(O)cc2/C1=C\c1cccc(/C=C2/C(=O)Nc3ccc(O)cc32)n1
InChIInChI=1S/C23H15N3O4/c27-14-4-6-20-16(10-14)18(22(29)25-20)8-12-2-1-3-13(24-12)9-19-17-11-15(28)5-7-21(17)26-23(19)30/h1-11,27-28H,(H,25,29)(H,26,30)/b18-8+,19-9+
InChIKeyNQBKKJMYDBWXCZ-GCBPPVMSSA-N
MW397.39 g/mol
LogP3.48
Rot. Bonds2

About (3E)-5-hydroxy-3-[[6-[(E)-(5-hydroxy-2-oxo-1H-indol-3-ylidene)methyl]-2-pyridinyl]methylidene]-1H-indol-2-one

(3E)-5-hydroxy-3-[[6-[(E)-(5-hydroxy-2-oxo-1H-indol-3-ylidene)methyl]-2-pyridinyl]methylidene]-1H-indol-2-one (PubChem CID 24950374) has the molecular formula C23H15N3O4 and a molecular weight of 397.39 g/mol. Its IUPAC name is (3E)-5-hydroxy-3-[[6-[(E)-(5-hydroxy-2-oxo-1H-indol-3-ylidene)methyl]-2-pyridinyl]methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-5-hydroxy-3-[[6-[(E)-(5-hydroxy-2-oxo-1H-indol-3-ylidene)methyl]-2-pyridinyl]methylidene]-1H-indol-2-one
PubChem CID24950374
Molecular FormulaC23H15N3O4
Molecular Weight397.39 g/mol
Exact Mass397.11
IUPAC Name(3E)-5-hydroxy-3-[[6-[(E)-(5-hydroxy-2-oxo-1H-indol-3-ylidene)methyl]-2-pyridinyl]methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(O)cc2/C1=C\c1cccc(/C=C2/C(=O)Nc3ccc(O)cc32)n1
InChIInChI=1S/C23H15N3O4/c27-14-4-6-20-16(10-14)18(22(29)25-20)8-12-2-1-3-13(24-12)9-19-17-11-15(28)5-7-21(17)26-23(19)30/h1-11,27-28H,(H,25,29)(H,26,30)/b18-8+,19-9+
InChIKeyNQBKKJMYDBWXCZ-GCBPPVMSSA-N
XLogP3.48
TPSA111.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 53.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 73212810
CID 73212810
(3Z)-5-hydroxy-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one
CID 11195503
5-bromo-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one
CID 4569324
5-fluoro-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one
CID 171130402
(3E)-5-hydroxy-3-(1H-indol-3-ylmethylidene)-1H-indol-2-one
CID 69454677
(3E)-3-[(6-chloro-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-hydroxy-1H-indol-2-one
CID 5473336
(3E)-5-amino-3-[(2,5-dihydroxyphenyl)methylidene]-1H-indol-2-one
CID 143061968
3-[(3,5-dihydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one
CID 57236339
(3Z)-5-[2-(3-hydroxyphenyl)ethynyl]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
CID 10268240
3-[(2-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one
CID 57069797
(3E)-5-bromo-3-[(3-ethoxy-2-hydroxyphenyl)methylidene]-1H-indol-2-one
CID 1020382
5-bromo-3-[(3-ethoxy-2-hydroxyphenyl)methylidene]-1H-indol-2-one
CID 2924192

Frequently Asked Questions

What is the IUPAC name of (3E)-5-hydroxy-3-[[6-[(E)-(5-hydroxy-2-oxo-1H-indol-3-ylidene)methyl]-2-pyridinyl]methylidene]-1H-indol-2-one?
The IUPAC name of (3E)-5-hydroxy-3-[[6-[(E)-(5-hydroxy-2-oxo-1H-indol-3-ylidene)methyl]-2-pyridinyl]methylidene]-1H-indol-2-one (CID 24950374) is (3E)-5-hydroxy-3-[[6-[(E)-(5-hydroxy-2-oxo-1H-indol-3-ylidene)methyl]-2-pyridinyl]methylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-5-hydroxy-3-[[6-[(E)-(5-hydroxy-2-oxo-1H-indol-3-ylidene)methyl]-2-pyridinyl]methylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-5-hydroxy-3-[[6-[(E)-(5-hydroxy-2-oxo-1H-indol-3-ylidene)methyl]-2-pyridinyl]methylidene]-1H-indol-2-one is O=C1Nc2ccc(O)cc2/C1=C\c1cccc(/C=C2/C(=O)Nc3ccc(O)cc32)n1.
What is the InChIKey of (3E)-5-hydroxy-3-[[6-[(E)-(5-hydroxy-2-oxo-1H-indol-3-ylidene)methyl]-2-pyridinyl]methylidene]-1H-indol-2-one?
The InChIKey is NQBKKJMYDBWXCZ-GCBPPVMSSA-N. The full InChI is InChI=1S/C23H15N3O4/c27-14-4-6-20-16(10-14)18(22(29)25-20)8-12-2-1-3-13(24-12)9-19-17-11-15(28)5-7-21(17)26-23(19)30/h1-11,27-28H,(H,25,29)(H,26,30)/b18-8+,19-9+.
What are the key properties of (3E)-5-hydroxy-3-[[6-[(E)-(5-hydroxy-2-oxo-1H-indol-3-ylidene)methyl]-2-pyridinyl]methylidene]-1H-indol-2-one?
(3E)-5-hydroxy-3-[[6-[(E)-(5-hydroxy-2-oxo-1H-indol-3-ylidene)methyl]-2-pyridinyl]methylidene]-1H-indol-2-one has a molecular weight of 397.39 g/mol, XLogP of 3.48, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-hydroxy-3-[[6-[(E)-(5-hydroxy-2-oxo-1H-indol-3-ylidene)methyl]-2-pyridinyl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 24950374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).