(3Z)-5-chloro-3-[(E)-1-(10H-phenothiazin-2-yl)ethylidenehydrazinylidene]-1H-indol-2-one

C22H15ClN4OS — CID 172638817

IUPAC(3Z)-5-chloro-3-[(E)-1-(10H-phenothiazin-2-yl)ethylidenehydrazinylidene]-1H-indol-2-one
SMILESC/C(=N\N=C1/C(=O)Nc2ccc(Cl)cc21)c1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C22H15ClN4OS/c1-12(26-27-21-15-11-14(23)7-8-16(15)25-22(21)28)13-6-9-20-18(10-13)24-17-4-2-3-5-19(17)29-20/h2-11,24H,1H3,(H,25,27,28)/b26-12+
InChIKeyWIKFEOCXHLBRHP-RPPGKUMJSA-N
MW418.91 g/mol
LogP5.71
Rot. Bonds2

About (3Z)-5-chloro-3-[(E)-1-(10H-phenothiazin-2-yl)ethylidenehydrazinylidene]-1H-indol-2-one

(3Z)-5-chloro-3-[(E)-1-(10H-phenothiazin-2-yl)ethylidenehydrazinylidene]-1H-indol-2-one (PubChem CID 172638817) has the molecular formula C22H15ClN4OS and a molecular weight of 418.91 g/mol. Its IUPAC name is (3Z)-5-chloro-3-[(E)-1-(10H-phenothiazin-2-yl)ethylidenehydrazinylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-5-chloro-3-[(E)-1-(10H-phenothiazin-2-yl)ethylidenehydrazinylidene]-1H-indol-2-one
PubChem CID172638817
Molecular FormulaC22H15ClN4OS
Molecular Weight418.91 g/mol
Exact Mass418.07
IUPAC Name(3Z)-5-chloro-3-[(E)-1-(10H-phenothiazin-2-yl)ethylidenehydrazinylidene]-1H-indol-2-one
SMILESC/C(=N\N=C1/C(=O)Nc2ccc(Cl)cc21)c1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C22H15ClN4OS/c1-12(26-27-21-15-11-14(23)7-8-16(15)25-22(21)28)13-6-9-20-18(10-13)24-17-4-2-3-5-19(17)29-20/h2-11,24H,1H3,(H,25,27,28)/b26-12+
InChIKeyWIKFEOCXHLBRHP-RPPGKUMJSA-N
XLogP5.71
TPSA65.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.91
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze (3Z)-5-chloro-3-[(E)-1-(10H-phenothiazin-2-yl)ethylidenehydrazinylidene]-1H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-chloro-3-[(E)-1-(10H-phenothiazin-2-yl)ethylidenehydrazinylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-5-chloro-3-[(E)-1-(10H-phenothiazin-2-yl)ethylidenehydrazinylidene]-1H-indol-2-one (CID 172638817) is (3Z)-5-chloro-3-[(E)-1-(10H-phenothiazin-2-yl)ethylidenehydrazinylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-5-chloro-3-[(E)-1-(10H-phenothiazin-2-yl)ethylidenehydrazinylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-5-chloro-3-[(E)-1-(10H-phenothiazin-2-yl)ethylidenehydrazinylidene]-1H-indol-2-one is C/C(=N\N=C1/C(=O)Nc2ccc(Cl)cc21)c1ccc2c(c1)Nc1ccccc1S2.
What is the InChIKey of (3Z)-5-chloro-3-[(E)-1-(10H-phenothiazin-2-yl)ethylidenehydrazinylidene]-1H-indol-2-one?
The InChIKey is WIKFEOCXHLBRHP-RPPGKUMJSA-N. The full InChI is InChI=1S/C22H15ClN4OS/c1-12(26-27-21-15-11-14(23)7-8-16(15)25-22(21)28)13-6-9-20-18(10-13)24-17-4-2-3-5-19(17)29-20/h2-11,24H,1H3,(H,25,27,28)/b26-12+.
What are the key properties of (3Z)-5-chloro-3-[(E)-1-(10H-phenothiazin-2-yl)ethylidenehydrazinylidene]-1H-indol-2-one?
(3Z)-5-chloro-3-[(E)-1-(10H-phenothiazin-2-yl)ethylidenehydrazinylidene]-1H-indol-2-one has a molecular weight of 418.91 g/mol, XLogP of 5.71, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-chloro-3-[(E)-1-(10H-phenothiazin-2-yl)ethylidenehydrazinylidene]-1H-indol-2-one is sourced from PubChem (CID 172638817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).