[isoquinolin-5-yl-(4-methoxyphenyl)methyl]hydrazine

C17H17N3O — CID 105190925

IUPAC[isoquinolin-5-yl-(4-methoxyphenyl)methyl]hydrazine
SMILESCOc1ccc(C(NN)c2cccc3cnccc23)cc1
InChIInChI=1S/C17H17N3O/c1-21-14-7-5-12(6-8-14)17(20-18)16-4-2-3-13-11-19-10-9-15(13)16/h2-11,17,20H,18H2,1H3
InChIKeyCVUUAFZRMGUDNE-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.80
Rot. Bonds4

About [isoquinolin-5-yl-(4-methoxyphenyl)methyl]hydrazine

[isoquinolin-5-yl-(4-methoxyphenyl)methyl]hydrazine (PubChem CID 105190925) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is [isoquinolin-5-yl-(4-methoxyphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[isoquinolin-5-yl-(4-methoxyphenyl)methyl]hydrazine
PubChem CID105190925
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name[isoquinolin-5-yl-(4-methoxyphenyl)methyl]hydrazine
SMILESCOc1ccc(C(NN)c2cccc3cnccc23)cc1
InChIInChI=1S/C17H17N3O/c1-21-14-7-5-12(6-8-14)17(20-18)16-4-2-3-13-11-19-10-9-15(13)16/h2-11,17,20H,18H2,1H3
InChIKeyCVUUAFZRMGUDNE-UHFFFAOYSA-N
XLogP2.80
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.80
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

[isoquinolin-5-yl-(2-methoxyphenyl)methyl]hydrazine
CID 105191223
[isoquinolin-5-yl-(4-methylsulfanylphenyl)methyl]hydrazine
CID 105303091
[(3,4-dimethylphenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105303015
[(4-fluoro-3-methylphenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105204150
[(3,5-dibromophenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 107979075
[(4-methoxyphenyl)-quinolin-8-ylmethyl]hydrazine
CID 105190768
isoquinolin-5-yl-(3-methoxyphenyl)methanamine
CID 62813526
(1-isoquinolin-5-yl-2-methoxypropyl)hydrazine
CID 105247037
3-[hydrazinyl-(4-methoxyphenyl)methyl]pyridin-2-amine
CID 105190854
[(2-chloro-3-methylphenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105303099
[(4-methoxyphenyl)-pyrazin-2-ylmethyl]hydrazine
CID 105190970
[(4-bromophenyl)-isoquinolin-8-ylmethyl]hydrazine
CID 103139727

Frequently Asked Questions

What is the IUPAC name of [isoquinolin-5-yl-(4-methoxyphenyl)methyl]hydrazine?
The IUPAC name of [isoquinolin-5-yl-(4-methoxyphenyl)methyl]hydrazine (CID 105190925) is [isoquinolin-5-yl-(4-methoxyphenyl)methyl]hydrazine.
What is the SMILES notation for [isoquinolin-5-yl-(4-methoxyphenyl)methyl]hydrazine?
The canonical SMILES for [isoquinolin-5-yl-(4-methoxyphenyl)methyl]hydrazine is COc1ccc(C(NN)c2cccc3cnccc23)cc1.
What is the InChIKey of [isoquinolin-5-yl-(4-methoxyphenyl)methyl]hydrazine?
The InChIKey is CVUUAFZRMGUDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-21-14-7-5-12(6-8-14)17(20-18)16-4-2-3-13-11-19-10-9-15(13)16/h2-11,17,20H,18H2,1H3.
What are the key properties of [isoquinolin-5-yl-(4-methoxyphenyl)methyl]hydrazine?
[isoquinolin-5-yl-(4-methoxyphenyl)methyl]hydrazine has a molecular weight of 279.34 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [isoquinolin-5-yl-(4-methoxyphenyl)methyl]hydrazine is sourced from PubChem (CID 105190925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).