6-(2,6-dichloro-4-hydrazinylphenoxy)-2-ethyl-3,4-dihydroisoquinolin-1-one

C17H17Cl2N3O2 — CID 162758049

IUPAC6-(2,6-dichloro-4-hydrazinylphenoxy)-2-ethyl-3,4-dihydroisoquinolin-1-one
SMILESCCN1CCc2cc(Oc3c(Cl)cc(NN)cc3Cl)ccc2C1=O
InChIInChI=1S/C17H17Cl2N3O2/c1-2-22-6-5-10-7-12(3-4-13(10)17(22)23)24-16-14(18)8-11(21-20)9-15(16)19/h3-4,7-9,21H,2,5-6,20H2,1H3
InChIKeyXFOPXYSPUFCGQI-UHFFFAOYSA-N
MW366.25 g/mol
LogP4.09
Rot. Bonds4

About 6-(2,6-dichloro-4-hydrazinylphenoxy)-2-ethyl-3,4-dihydroisoquinolin-1-one

6-(2,6-dichloro-4-hydrazinylphenoxy)-2-ethyl-3,4-dihydroisoquinolin-1-one (PubChem CID 162758049) has the molecular formula C17H17Cl2N3O2 and a molecular weight of 366.25 g/mol. Its IUPAC name is 6-(2,6-dichloro-4-hydrazinylphenoxy)-2-ethyl-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name6-(2,6-dichloro-4-hydrazinylphenoxy)-2-ethyl-3,4-dihydroisoquinolin-1-one
PubChem CID162758049
Molecular FormulaC17H17Cl2N3O2
Molecular Weight366.25 g/mol
Exact Mass365.07
IUPAC Name6-(2,6-dichloro-4-hydrazinylphenoxy)-2-ethyl-3,4-dihydroisoquinolin-1-one
SMILESCCN1CCc2cc(Oc3c(Cl)cc(NN)cc3Cl)ccc2C1=O
InChIInChI=1S/C17H17Cl2N3O2/c1-2-22-6-5-10-7-12(3-4-13(10)17(22)23)24-16-14(18)8-11(21-20)9-15(16)19/h3-4,7-9,21H,2,5-6,20H2,1H3
InChIKeyXFOPXYSPUFCGQI-UHFFFAOYSA-N
XLogP4.09
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(2,6-dichloro-4-hydrazinylphenoxy)-2-[(3-methoxyphenyl)methyl]-3,4-dihydroisoquinolin-1-one
CID 162758055
6-(2,6-dichloro-4-hydrazinylphenoxy)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3,4-dihydroisoquinolin-1-one
CID 162758028
6-(4-amino-2,6-dichlorophenoxy)-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydroisoquinolin-1-one
CID 169001978
6-[2,6-dichloro-4-(5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-2-[(4-fluorophenyl)methyl]-3,4-dihydroisoquinolin-1-one
CID 174177598
[2-cyano-2-[[3,5-dichloro-4-[[2-[(4-chlorophenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-6-yl]oxy]phenyl]hydrazinylidene]acetyl]carbamic acid
CID 175922208
2-[3,5-dichloro-4-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydroisoquinolin-6-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile
CID 174177577
6-(benzylamino)-2-ethyl-3,4-dihydroisoquinolin-1-one
CID 137422672
[2-cyano-2-[[3,5-dichloro-4-[[2-[(2-fluorophenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-6-yl]oxy]phenyl]hydrazinylidene]acetyl]carbamic acid
CID 175922205
N-[[3,5-dichloro-4-[[2-[(3,4-difluorophenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-6-yl]oxy]phenyl]carbamoyl]-2-iminoacetamide
CID 170049620
[2-cyano-2-[[3,5-dichloro-4-[[1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-3,4-dihydroisoquinolin-6-yl]oxy]phenyl]hydrazinylidene]acetyl]carbamic acid
CID 174053926
(E)-4-(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)but-2-enal
CID 118557992
[2-cyano-2-[[3,5-dichloro-4-[[2-[(3-fluorophenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-6-yl]oxy]phenyl]hydrazinylidene]acetyl]carbamic acid
CID 175922209

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichloro-4-hydrazinylphenoxy)-2-ethyl-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 6-(2,6-dichloro-4-hydrazinylphenoxy)-2-ethyl-3,4-dihydroisoquinolin-1-one (CID 162758049) is 6-(2,6-dichloro-4-hydrazinylphenoxy)-2-ethyl-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 6-(2,6-dichloro-4-hydrazinylphenoxy)-2-ethyl-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 6-(2,6-dichloro-4-hydrazinylphenoxy)-2-ethyl-3,4-dihydroisoquinolin-1-one is CCN1CCc2cc(Oc3c(Cl)cc(NN)cc3Cl)ccc2C1=O.
What is the InChIKey of 6-(2,6-dichloro-4-hydrazinylphenoxy)-2-ethyl-3,4-dihydroisoquinolin-1-one?
The InChIKey is XFOPXYSPUFCGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O2/c1-2-22-6-5-10-7-12(3-4-13(10)17(22)23)24-16-14(18)8-11(21-20)9-15(16)19/h3-4,7-9,21H,2,5-6,20H2,1H3.
What are the key properties of 6-(2,6-dichloro-4-hydrazinylphenoxy)-2-ethyl-3,4-dihydroisoquinolin-1-one?
6-(2,6-dichloro-4-hydrazinylphenoxy)-2-ethyl-3,4-dihydroisoquinolin-1-one has a molecular weight of 366.25 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichloro-4-hydrazinylphenoxy)-2-ethyl-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 162758049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).