(2Z)-2-[(4-acetylphenyl)hydrazinylidene]-2-(3,3-dimethyl-4H-isoquinolin-1-yl)-N,N-dimethylacetamide

C23H26N4O2 — CID 11269306

IUPAC(2Z)-2-[(4-acetylphenyl)hydrazinylidene]-2-(3,3-dimethyl-4H-isoquinolin-1-yl)-N,N-dimethylacetamide
SMILESCC(=O)c1ccc(N/N=C(\C(=O)N(C)C)C2=NC(C)(C)Cc3ccccc32)cc1
InChIInChI=1S/C23H26N4O2/c1-15(28)16-10-12-18(13-11-16)25-26-21(22(29)27(4)5)20-19-9-7-6-8-17(19)14-23(2,3)24-20/h6-13,25H,14H2,1-5H3/b26-21-
InChIKeyJVBWEXWINPQIBM-QLYXXIJNSA-N
MW390.49 g/mol
LogP3.57
Rot. Bonds5

About (2Z)-2-[(4-acetylphenyl)hydrazinylidene]-2-(3,3-dimethyl-4H-isoquinolin-1-yl)-N,N-dimethylacetamide

(2Z)-2-[(4-acetylphenyl)hydrazinylidene]-2-(3,3-dimethyl-4H-isoquinolin-1-yl)-N,N-dimethylacetamide (PubChem CID 11269306) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is (2Z)-2-[(4-acetylphenyl)hydrazinylidene]-2-(3,3-dimethyl-4H-isoquinolin-1-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name(2Z)-2-[(4-acetylphenyl)hydrazinylidene]-2-(3,3-dimethyl-4H-isoquinolin-1-yl)-N,N-dimethylacetamide
PubChem CID11269306
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name(2Z)-2-[(4-acetylphenyl)hydrazinylidene]-2-(3,3-dimethyl-4H-isoquinolin-1-yl)-N,N-dimethylacetamide
SMILESCC(=O)c1ccc(N/N=C(\C(=O)N(C)C)C2=NC(C)(C)Cc3ccccc32)cc1
InChIInChI=1S/C23H26N4O2/c1-15(28)16-10-12-18(13-11-16)25-26-21(22(29)27(4)5)20-19-9-7-6-8-17(19)14-23(2,3)24-20/h6-13,25H,14H2,1-5H3/b26-21-
InChIKeyJVBWEXWINPQIBM-QLYXXIJNSA-N
XLogP3.57
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 (2Z)-2-[(4-acetylphenyl)hydrazinylidene]-2-(3,3-dimethyl-4H-isoquinolin-1-yl)-N,N-dimethylacetamide?
The IUPAC name of (2Z)-2-[(4-acetylphenyl)hydrazinylidene]-2-(3,3-dimethyl-4H-isoquinolin-1-yl)-N,N-dimethylacetamide (CID 11269306) is (2Z)-2-[(4-acetylphenyl)hydrazinylidene]-2-(3,3-dimethyl-4H-isoquinolin-1-yl)-N,N-dimethylacetamide.
What is the SMILES notation for (2Z)-2-[(4-acetylphenyl)hydrazinylidene]-2-(3,3-dimethyl-4H-isoquinolin-1-yl)-N,N-dimethylacetamide?
The canonical SMILES for (2Z)-2-[(4-acetylphenyl)hydrazinylidene]-2-(3,3-dimethyl-4H-isoquinolin-1-yl)-N,N-dimethylacetamide is CC(=O)c1ccc(N/N=C(\C(=O)N(C)C)C2=NC(C)(C)Cc3ccccc32)cc1.
What is the InChIKey of (2Z)-2-[(4-acetylphenyl)hydrazinylidene]-2-(3,3-dimethyl-4H-isoquinolin-1-yl)-N,N-dimethylacetamide?
The InChIKey is JVBWEXWINPQIBM-QLYXXIJNSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-15(28)16-10-12-18(13-11-16)25-26-21(22(29)27(4)5)20-19-9-7-6-8-17(19)14-23(2,3)24-20/h6-13,25H,14H2,1-5H3/b26-21-.
What are the key properties of (2Z)-2-[(4-acetylphenyl)hydrazinylidene]-2-(3,3-dimethyl-4H-isoquinolin-1-yl)-N,N-dimethylacetamide?
(2Z)-2-[(4-acetylphenyl)hydrazinylidene]-2-(3,3-dimethyl-4H-isoquinolin-1-yl)-N,N-dimethylacetamide has a molecular weight of 390.49 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(4-acetylphenyl)hydrazinylidene]-2-(3,3-dimethyl-4H-isoquinolin-1-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 11269306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).