[2-(4-chlorophenyl)-1-isoquinolin-5-ylethyl]hydrazine

C17H16ClN3 — CID 105197733

IUPAC[2-(4-chlorophenyl)-1-isoquinolin-5-ylethyl]hydrazine
SMILESNNC(Cc1ccc(Cl)cc1)c1cccc2cnccc12
InChIInChI=1S/C17H16ClN3/c18-14-6-4-12(5-7-14)10-17(21-19)16-3-1-2-13-11-20-9-8-15(13)16/h1-9,11,17,21H,10,19H2
InChIKeyHUVYFPQLCVAIPM-UHFFFAOYSA-N
MW297.79 g/mol
LogP3.64
Rot. Bonds4

About [2-(4-chlorophenyl)-1-isoquinolin-5-ylethyl]hydrazine

[2-(4-chlorophenyl)-1-isoquinolin-5-ylethyl]hydrazine (PubChem CID 105197733) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-1-isoquinolin-5-ylethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-1-isoquinolin-5-ylethyl]hydrazine
PubChem CID105197733
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC Name[2-(4-chlorophenyl)-1-isoquinolin-5-ylethyl]hydrazine
SMILESNNC(Cc1ccc(Cl)cc1)c1cccc2cnccc12
InChIInChI=1S/C17H16ClN3/c18-14-6-4-12(5-7-14)10-17(21-19)16-3-1-2-13-11-20-9-8-15(13)16/h1-9,11,17,21H,10,19H2
InChIKeyHUVYFPQLCVAIPM-UHFFFAOYSA-N
XLogP3.64
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(1-isoquinolin-5-yl-3-pyridin-4-ylpropyl)hydrazine
CID 105303109
(1-isoquinolin-5-yl-2-methylsulfanylethyl)hydrazine
CID 105213991
[(2,5-dichlorophenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105303049
(1-isoquinolin-5-yl-2-phenylsulfanylethyl)hydrazine
CID 105228188
[2-(4-chlorophenyl)-1-quinoxalin-5-ylethyl]hydrazine
CID 105283316
(1-isoquinolin-8-yl-2-thiophen-3-ylethyl)hydrazine
CID 103141500
2-(4-chlorophenyl)-1-isoquinolin-4-ylethanol
CID 63939969
[1-(2,3-dichlorophenyl)-2-pyridin-4-ylethyl]hydrazine
CID 105212439
[1-(3-chloro-2-fluorophenyl)-2-pyridin-4-ylethyl]hydrazine
CID 105223440
(1-isoquinolin-5-yl-2,2-dimethylbutyl)hydrazine
CID 105303126
[(2-chloro-3-methylphenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105303099
[(3-bromo-2-chlorophenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105303094

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-1-isoquinolin-5-ylethyl]hydrazine?
The IUPAC name of [2-(4-chlorophenyl)-1-isoquinolin-5-ylethyl]hydrazine (CID 105197733) is [2-(4-chlorophenyl)-1-isoquinolin-5-ylethyl]hydrazine.
What is the SMILES notation for [2-(4-chlorophenyl)-1-isoquinolin-5-ylethyl]hydrazine?
The canonical SMILES for [2-(4-chlorophenyl)-1-isoquinolin-5-ylethyl]hydrazine is NNC(Cc1ccc(Cl)cc1)c1cccc2cnccc12.
What is the InChIKey of [2-(4-chlorophenyl)-1-isoquinolin-5-ylethyl]hydrazine?
The InChIKey is HUVYFPQLCVAIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c18-14-6-4-12(5-7-14)10-17(21-19)16-3-1-2-13-11-20-9-8-15(13)16/h1-9,11,17,21H,10,19H2.
What are the key properties of [2-(4-chlorophenyl)-1-isoquinolin-5-ylethyl]hydrazine?
[2-(4-chlorophenyl)-1-isoquinolin-5-ylethyl]hydrazine has a molecular weight of 297.79 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-1-isoquinolin-5-ylethyl]hydrazine is sourced from PubChem (CID 105197733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).