(3Z)-5,7-dichloro-3-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1H-indol-2-one

C17H14Cl2N4O — CID 135556870

IUPAC(3Z)-5,7-dichloro-3-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1H-indol-2-one
SMILESCN(C)c1ccc(C=N/N=C2\C(=O)Nc3c(Cl)cc(Cl)cc32)cc1
InChIInChI=1S/C17H14Cl2N4O/c1-23(2)12-5-3-10(4-6-12)9-20-22-16-13-7-11(18)8-14(19)15(13)21-17(16)24/h3-9H,1-2H3,(H,21,22,24)
InChIKeyJDPDRMRHHQTAMK-UHFFFAOYSA-N
MW361.23 g/mol
LogP3.83
Rot. Bonds3

About (3Z)-5,7-dichloro-3-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1H-indol-2-one

(3Z)-5,7-dichloro-3-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1H-indol-2-one (PubChem CID 135556870) has the molecular formula C17H14Cl2N4O and a molecular weight of 361.23 g/mol. Its IUPAC name is (3Z)-5,7-dichloro-3-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-5,7-dichloro-3-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1H-indol-2-one
PubChem CID135556870
Molecular FormulaC17H14Cl2N4O
Molecular Weight361.23 g/mol
Exact Mass360.05
IUPAC Name(3Z)-5,7-dichloro-3-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1H-indol-2-one
SMILESCN(C)c1ccc(C=N/N=C2\C(=O)Nc3c(Cl)cc(Cl)cc32)cc1
InChIInChI=1S/C17H14Cl2N4O/c1-23(2)12-5-3-10(4-6-12)9-20-22-16-13-7-11(18)8-14(19)15(13)21-17(16)24/h3-9H,1-2H3,(H,21,22,24)
InChIKeyJDPDRMRHHQTAMK-UHFFFAOYSA-N
XLogP3.83
TPSA57.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_J(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-5,7-dichloro-3-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-5,7-dichloro-3-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1H-indol-2-one (CID 135556870) is (3Z)-5,7-dichloro-3-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-5,7-dichloro-3-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-5,7-dichloro-3-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1H-indol-2-one is CN(C)c1ccc(C=N/N=C2\C(=O)Nc3c(Cl)cc(Cl)cc32)cc1.
What is the InChIKey of (3Z)-5,7-dichloro-3-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1H-indol-2-one?
The InChIKey is JDPDRMRHHQTAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O/c1-23(2)12-5-3-10(4-6-12)9-20-22-16-13-7-11(18)8-14(19)15(13)21-17(16)24/h3-9H,1-2H3,(H,21,22,24).
What are the key properties of (3Z)-5,7-dichloro-3-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1H-indol-2-one?
(3Z)-5,7-dichloro-3-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1H-indol-2-one has a molecular weight of 361.23 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5,7-dichloro-3-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1H-indol-2-one is sourced from PubChem (CID 135556870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).