2-[(3-chlorophenyl)hydrazinylidene]-2-(3,3-dimethyl-4H-isoquinolin-1-yl)acetamide

C19H19ClN4O — CID 4054202

IUPAC2-[(3-chlorophenyl)hydrazinylidene]-2-(3,3-dimethyl-4H-isoquinolin-1-yl)acetamide
SMILESCC1(C)Cc2ccccc2C(C(=NNc2cccc(Cl)c2)C(N)=O)=N1
InChIInChI=1S/C19H19ClN4O/c1-19(2)11-12-6-3-4-9-15(12)16(22-19)17(18(21)25)24-23-14-8-5-7-13(20)10-14/h3-10,23H,11H2,1-2H3,(H2,21,25)
InChIKeyVTVDTICTXMGUGN-UHFFFAOYSA-N
MW354.84 g/mol
LogP3.42
Rot. Bonds4

About 2-[(3-chlorophenyl)hydrazinylidene]-2-(3,3-dimethyl-4H-isoquinolin-1-yl)acetamide

2-[(3-chlorophenyl)hydrazinylidene]-2-(3,3-dimethyl-4H-isoquinolin-1-yl)acetamide (PubChem CID 4054202) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)hydrazinylidene]-2-(3,3-dimethyl-4H-isoquinolin-1-yl)acetamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)hydrazinylidene]-2-(3,3-dimethyl-4H-isoquinolin-1-yl)acetamide
PubChem CID4054202
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC Name2-[(3-chlorophenyl)hydrazinylidene]-2-(3,3-dimethyl-4H-isoquinolin-1-yl)acetamide
SMILESCC1(C)Cc2ccccc2C(C(=NNc2cccc(Cl)c2)C(N)=O)=N1
InChIInChI=1S/C19H19ClN4O/c1-19(2)11-12-6-3-4-9-15(12)16(22-19)17(18(21)25)24-23-14-8-5-7-13(20)10-14/h3-10,23H,11H2,1-2H3,(H2,21,25)
InChIKeyVTVDTICTXMGUGN-UHFFFAOYSA-N
XLogP3.42
TPSA79.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

2-(3,3-dimethyl-4H-isoquinolin-1-yl)-2-[(4-methylphenyl)hydrazinylidene]acetamide
CID 98513563
2-[(4-acetyl-2-aminophenyl)hydrazinylidene]-2-(3,3-dimethyl-4H-isoquinolin-1-yl)acetamide
CID 173120883
(2Z)-2-[(4-acetylphenyl)hydrazinylidene]-2-(3,3-dimethyl-4H-isoquinolin-1-yl)-N,N-dimethylacetamide
CID 11269306
(2Z)-2-[(3-chlorophenyl)hydrazinylidene]-1,2-diphenylethanone
CID 6172850
2-(3-chloroanilino)-1-oxoguanidine
CID 46183330
(Z)-3-(3,3-dimethyl-4H-isoquinolin-1-yl)-2-hydroxy-4-oxo-4-pyrrolidin-1-ylbut-2-enamide
CID 135451203
2-hydroxyimino-2-spiro[4H-isoquinoline-3,1'-cyclohexane]-1-ylacetamide
CID 135456520
1-(3-chlorophenyl)-3-[(3R)-2-cyano-3-ethyl-3-methyl-4H-naphthalen-1-yl]urea
CID 26823647
ethane;1,3,3-trimethyl-4H-isoquinoline
CID 91378568
(1Z)-2-(3-chloroanilino)-N-(3-chlorophenyl)-2-oxoethanehydrazonoyl chloride
CID 10882442
[(E)-2,3-dihydroinden-1-ylideneamino] N-(3-chlorophenyl)carbamate
CID 5404037
1-(3,4-dichlorophenyl)-3-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]urea
CID 97107626

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)hydrazinylidene]-2-(3,3-dimethyl-4H-isoquinolin-1-yl)acetamide?
The IUPAC name of 2-[(3-chlorophenyl)hydrazinylidene]-2-(3,3-dimethyl-4H-isoquinolin-1-yl)acetamide (CID 4054202) is 2-[(3-chlorophenyl)hydrazinylidene]-2-(3,3-dimethyl-4H-isoquinolin-1-yl)acetamide.
What is the SMILES notation for 2-[(3-chlorophenyl)hydrazinylidene]-2-(3,3-dimethyl-4H-isoquinolin-1-yl)acetamide?
The canonical SMILES for 2-[(3-chlorophenyl)hydrazinylidene]-2-(3,3-dimethyl-4H-isoquinolin-1-yl)acetamide is CC1(C)Cc2ccccc2C(C(=NNc2cccc(Cl)c2)C(N)=O)=N1.
What is the InChIKey of 2-[(3-chlorophenyl)hydrazinylidene]-2-(3,3-dimethyl-4H-isoquinolin-1-yl)acetamide?
The InChIKey is VTVDTICTXMGUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c1-19(2)11-12-6-3-4-9-15(12)16(22-19)17(18(21)25)24-23-14-8-5-7-13(20)10-14/h3-10,23H,11H2,1-2H3,(H2,21,25).
What are the key properties of 2-[(3-chlorophenyl)hydrazinylidene]-2-(3,3-dimethyl-4H-isoquinolin-1-yl)acetamide?
2-[(3-chlorophenyl)hydrazinylidene]-2-(3,3-dimethyl-4H-isoquinolin-1-yl)acetamide has a molecular weight of 354.84 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)hydrazinylidene]-2-(3,3-dimethyl-4H-isoquinolin-1-yl)acetamide is sourced from PubChem (CID 4054202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).