(3Z)-5-bromo-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one

C16H12BrN3O3 — CID 135615422

IUPAC(3Z)-5-bromo-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one
SMILESCOc1cc(/C=N/N=C2\C(=O)Nc3ccc(Br)cc32)ccc1O
InChIInChI=1S/C16H12BrN3O3/c1-23-14-6-9(2-5-13(14)21)8-18-20-15-11-7-10(17)3-4-12(11)19-16(15)22/h2-8,21H,1H3,(H,19,20,22)/b18-8+
InChIKeyQZTFUCVKAFQMLQ-QGMBQPNBSA-N
MW374.19 g/mol
LogP2.94
Rot. Bonds3

About (3Z)-5-bromo-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one

(3Z)-5-bromo-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one (PubChem CID 135615422) has the molecular formula C16H12BrN3O3 and a molecular weight of 374.19 g/mol. Its IUPAC name is (3Z)-5-bromo-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-5-bromo-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one
PubChem CID135615422
Molecular FormulaC16H12BrN3O3
Molecular Weight374.19 g/mol
Exact Mass373.01
IUPAC Name(3Z)-5-bromo-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one
SMILESCOc1cc(/C=N/N=C2\C(=O)Nc3ccc(Br)cc32)ccc1O
InChIInChI=1S/C16H12BrN3O3/c1-23-14-6-9(2-5-13(14)21)8-18-20-15-11-7-10(17)3-4-12(11)19-16(15)22/h2-8,21H,1H3,(H,19,20,22)/b18-8+
InChIKeyQZTFUCVKAFQMLQ-QGMBQPNBSA-N
XLogP2.94
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.19
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3E)-5-bromo-3-[(3,4-dichlorophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 136663417
(3Z)-5-bromo-3-[(Z)-pyridin-4-ylmethylidenehydrazinylidene]-1H-indol-2-one
CID 135857822
(3E)-3-[(Z)-(4-benzylphenyl)methylidenehydrazinylidene]-5-bromo-1H-indol-2-one
CID 135903570
(3Z)-3-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-5-chloro-1H-indol-2-one
CID 176730765
methyl 2-[2-bromo-4-[(Z)-[(E)-(5-bromo-2-oxo-1H-indol-3-ylidene)hydrazinylidene]methyl]-6-ethoxyphenoxy]acetate
CID 136915793
(3Z)-3-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135674247
5-bromo-3-(2-methoxyphenyl)imino-1H-indol-2-one
CID 135458707
5-bromo-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1H-indol-2-one
CID 1228781
3-[(4-bromophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135521060
5-bromo-3-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1H-indol-2-one
CID 5079357
5-bromo-2-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136843544
3-[(3,5-dibromo-4-hydroxyphenyl)methylidenehydrazinylidene]-5-(hydroxymethyl)-1H-indol-2-one
CID 137058132

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-bromo-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-5-bromo-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one (CID 135615422) is (3Z)-5-bromo-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-5-bromo-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-5-bromo-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one is COc1cc(/C=N/N=C2\C(=O)Nc3ccc(Br)cc32)ccc1O.
What is the InChIKey of (3Z)-5-bromo-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one?
The InChIKey is QZTFUCVKAFQMLQ-QGMBQPNBSA-N. The full InChI is InChI=1S/C16H12BrN3O3/c1-23-14-6-9(2-5-13(14)21)8-18-20-15-11-7-10(17)3-4-12(11)19-16(15)22/h2-8,21H,1H3,(H,19,20,22)/b18-8+.
What are the key properties of (3Z)-5-bromo-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one?
(3Z)-5-bromo-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one has a molecular weight of 374.19 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-bromo-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one is sourced from PubChem (CID 135615422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).