2-[(4-acetylphenyl)diazenyl]-2-(2,3,3-trimethyl-4H-isoquinolin-1-ylidene)acetamide

C22H24N4O2 — CID 72975600

IUPAC2-[(4-acetylphenyl)diazenyl]-2-(2,3,3-trimethyl-4H-isoquinolin-1-ylidene)acetamide
SMILESCC(=O)c1ccc(/N=N/C(C(N)=O)=C2c3ccccc3CC(C)(C)N2C)cc1
InChIInChI=1S/C22H24N4O2/c1-14(27)15-9-11-17(12-10-15)24-25-19(21(23)28)20-18-8-6-5-7-16(18)13-22(2,3)26(20)4/h5-12H,13H2,1-4H3,(H2,23,28)/b20-19?,25-24+
InChIKeyVEQRBCZWJQYGOS-LMKVZMFNSA-N
MW376.46 g/mol
LogP4.09
Rot. Bonds4

About 2-[(4-acetylphenyl)diazenyl]-2-(2,3,3-trimethyl-4H-isoquinolin-1-ylidene)acetamide

2-[(4-acetylphenyl)diazenyl]-2-(2,3,3-trimethyl-4H-isoquinolin-1-ylidene)acetamide (PubChem CID 72975600) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[(4-acetylphenyl)diazenyl]-2-(2,3,3-trimethyl-4H-isoquinolin-1-ylidene)acetamide.

Molecular Properties

Compound Name2-[(4-acetylphenyl)diazenyl]-2-(2,3,3-trimethyl-4H-isoquinolin-1-ylidene)acetamide
PubChem CID72975600
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-[(4-acetylphenyl)diazenyl]-2-(2,3,3-trimethyl-4H-isoquinolin-1-ylidene)acetamide
SMILESCC(=O)c1ccc(/N=N/C(C(N)=O)=C2c3ccccc3CC(C)(C)N2C)cc1
InChIInChI=1S/C22H24N4O2/c1-14(27)15-9-11-17(12-10-15)24-25-19(21(23)28)20-18-8-6-5-7-16(18)13-22(2,3)26(20)4/h5-12H,13H2,1-4H3,(H2,23,28)/b20-19?,25-24+
InChIKeyVEQRBCZWJQYGOS-LMKVZMFNSA-N
XLogP4.09
TPSA88.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[(4-acetylphenyl)diazenyl]-2-(2,3,3-trimethyl-4H-isoquinolin-1-ylidene)acetamide 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 2-[(4-acetylphenyl)diazenyl]-2-(2,3,3-trimethyl-4H-isoquinolin-1-ylidene)acetamide?
The IUPAC name of 2-[(4-acetylphenyl)diazenyl]-2-(2,3,3-trimethyl-4H-isoquinolin-1-ylidene)acetamide (CID 72975600) is 2-[(4-acetylphenyl)diazenyl]-2-(2,3,3-trimethyl-4H-isoquinolin-1-ylidene)acetamide.
What is the SMILES notation for 2-[(4-acetylphenyl)diazenyl]-2-(2,3,3-trimethyl-4H-isoquinolin-1-ylidene)acetamide?
The canonical SMILES for 2-[(4-acetylphenyl)diazenyl]-2-(2,3,3-trimethyl-4H-isoquinolin-1-ylidene)acetamide is CC(=O)c1ccc(/N=N/C(C(N)=O)=C2c3ccccc3CC(C)(C)N2C)cc1.
What is the InChIKey of 2-[(4-acetylphenyl)diazenyl]-2-(2,3,3-trimethyl-4H-isoquinolin-1-ylidene)acetamide?
The InChIKey is VEQRBCZWJQYGOS-LMKVZMFNSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-14(27)15-9-11-17(12-10-15)24-25-19(21(23)28)20-18-8-6-5-7-16(18)13-22(2,3)26(20)4/h5-12H,13H2,1-4H3,(H2,23,28)/b20-19?,25-24+.
What are the key properties of 2-[(4-acetylphenyl)diazenyl]-2-(2,3,3-trimethyl-4H-isoquinolin-1-ylidene)acetamide?
2-[(4-acetylphenyl)diazenyl]-2-(2,3,3-trimethyl-4H-isoquinolin-1-ylidene)acetamide has a molecular weight of 376.46 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetylphenyl)diazenyl]-2-(2,3,3-trimethyl-4H-isoquinolin-1-ylidene)acetamide is sourced from PubChem (CID 72975600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).