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

C23H19N3O3 — CID 135733167

IUPAC(3Z)-1-benzyl-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]indol-2-one
SMILESCOc1cc(/C=N/N=C2\C(=O)N(Cc3ccccc3)c3ccccc32)ccc1O
InChIInChI=1S/C23H19N3O3/c1-29-21-13-17(11-12-20(21)27)14-24-25-22-18-9-5-6-10-19(18)26(23(22)28)15-16-7-3-2-4-8-16/h2-14,27H,15H2,1H3/b24-14+,25-22-
InChIKeyLBEDPMPMFRWWDD-WXOGBGICSA-N
MW385.42 g/mol
LogP3.77
Rot. Bonds5

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

(3Z)-1-benzyl-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]indol-2-one (PubChem CID 135733167) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is (3Z)-1-benzyl-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]indol-2-one.

Molecular Properties

Compound Name(3Z)-1-benzyl-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]indol-2-one
PubChem CID135733167
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name(3Z)-1-benzyl-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]indol-2-one
SMILESCOc1cc(/C=N/N=C2\C(=O)N(Cc3ccccc3)c3ccccc32)ccc1O
InChIInChI=1S/C23H19N3O3/c1-29-21-13-17(11-12-20(21)27)14-24-25-22-18-9-5-6-10-19(18)26(23(22)28)15-16-7-3-2-4-8-16/h2-14,27H,15H2,1H3/b24-14+,25-22-
InChIKeyLBEDPMPMFRWWDD-WXOGBGICSA-N
XLogP3.77
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
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

1-benzyl-3-[(4-methoxyphenyl)methylidenehydrazinylidene]indol-2-one
CID 5116562
(3Z)-3-[(Z)-(3-hydroxy-4-methoxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one
CID 9214073
[4-[(Z)-[(Z)-(1-ethyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate
CID 9122525
(5E)-3-benzyl-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 91659291
2-[2-methoxy-4-[(Z)-[(Z)-(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]phenoxy]acetamide
CID 9213842
(5Z)-3-benzyl-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 1238642
(3Z)-3-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one
CID 135577165
(2Z,5Z)-5-benzylidene-3-(furan-2-ylmethyl)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135732356
4-[(Z)-[(Z)-(1-benzyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 8900417
(3Z)-3-[(E)-(4-hydroxy-3-nitrophenyl)methylidenehydrazinylidene]-1-prop-2-enylindol-2-one
CID 135577356
2-[(Z)-[(Z)-(1-benzyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-4-nitrophenolate
CID 7302313
N-ethyl-2-[2-methoxy-4-[(Z)-[(Z)-(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]phenoxy]acetamide
CID 9213838

Frequently Asked Questions

What is the IUPAC name of (3Z)-1-benzyl-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]indol-2-one?
The IUPAC name of (3Z)-1-benzyl-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]indol-2-one (CID 135733167) is (3Z)-1-benzyl-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]indol-2-one.
What is the SMILES notation for (3Z)-1-benzyl-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]indol-2-one?
The canonical SMILES for (3Z)-1-benzyl-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]indol-2-one is COc1cc(/C=N/N=C2\C(=O)N(Cc3ccccc3)c3ccccc32)ccc1O.
What is the InChIKey of (3Z)-1-benzyl-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]indol-2-one?
The InChIKey is LBEDPMPMFRWWDD-WXOGBGICSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-29-21-13-17(11-12-20(21)27)14-24-25-22-18-9-5-6-10-19(18)26(23(22)28)15-16-7-3-2-4-8-16/h2-14,27H,15H2,1H3/b24-14+,25-22-.
What are the key properties of (3Z)-1-benzyl-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]indol-2-one?
(3Z)-1-benzyl-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]indol-2-one has a molecular weight of 385.42 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-benzyl-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]indol-2-one is sourced from PubChem (CID 135733167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).