(3Z)-3-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one

C18H17N3O4 — CID 135674247

IUPAC(3Z)-3-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one
SMILESCOc1cc(C=N/N=C2\C(=O)Nc3ccccc32)cc(OC)c1OC
InChIInChI=1S/C18H17N3O4/c1-23-14-8-11(9-15(24-2)17(14)25-3)10-19-21-16-12-6-4-5-7-13(12)20-18(16)22/h4-10H,1-3H3,(H,20,21,22)
InChIKeyKYMXOODIJONWEO-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.49
Rot. Bonds5

About (3Z)-3-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one

(3Z)-3-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one (PubChem CID 135674247) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is (3Z)-3-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one
PubChem CID135674247
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name(3Z)-3-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one
SMILESCOc1cc(C=N/N=C2\C(=O)Nc3ccccc32)cc(OC)c1OC
InChIInChI=1S/C18H17N3O4/c1-23-14-8-11(9-15(24-2)17(14)25-3)10-19-21-16-12-6-4-5-7-13(12)20-18(16)22/h4-10H,1-3H3,(H,20,21,22)
InChIKeyKYMXOODIJONWEO-UHFFFAOYSA-N
XLogP2.49
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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

(3Z)-3-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135425137
3-[(4-fluorophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135445848
3-[(4-bromophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135521060
(3Z)-3-[(E)-[3,4-bis(phenylmethoxy)phenyl]methylidenehydrazinylidene]-1H-indol-2-one
CID 162787009
(3Z)-3-[(4-ethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135823201
N-[4-[[(2-oxo-1H-indol-3-ylidene)hydrazinylidene]methyl]phenyl]acetamide
CID 135500421
(3Z)-5-bromo-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135615422
(3Z)-3-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135603924
3-[(2-fluorophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135537355
(3E)-3-[(E)-2-oxo-4-(3,4,5-trimethoxyphenyl)but-3-enylidene]-1H-indol-2-one
CID 118314797
(3E)-3-[(E)-quinolin-6-ylmethylidenehydrazinylidene]-1H-indol-2-one
CID 135676256
(3Z)-3-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1H-indol-2-one
CID 135411606

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-3-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one (CID 135674247) is (3Z)-3-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one is COc1cc(C=N/N=C2\C(=O)Nc3ccccc32)cc(OC)c1OC.
What is the InChIKey of (3Z)-3-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one?
The InChIKey is KYMXOODIJONWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-23-14-8-11(9-15(24-2)17(14)25-3)10-19-21-16-12-6-4-5-7-13(12)20-18(16)22/h4-10H,1-3H3,(H,20,21,22).
What are the key properties of (3Z)-3-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one?
(3Z)-3-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one has a molecular weight of 339.35 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one is sourced from PubChem (CID 135674247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).