(6,7-dimethoxyisoquinolin-1-yl)hydrazine

C11H13N3O2 — CID 103840464

IUPAC(6,7-dimethoxyisoquinolin-1-yl)hydrazine
SMILESCOc1cc2ccnc(NN)c2cc1OC
InChIInChI=1S/C11H13N3O2/c1-15-9-5-7-3-4-13-11(14-12)8(7)6-10(9)16-2/h3-6H,12H2,1-2H3,(H,13,14)
InChIKeyWNYKHAFFVWVQJF-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.54
Rot. Bonds3

About (6,7-dimethoxyisoquinolin-1-yl)hydrazine

(6,7-dimethoxyisoquinolin-1-yl)hydrazine (PubChem CID 103840464) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is (6,7-dimethoxyisoquinolin-1-yl)hydrazine.

Molecular Properties

Compound Name(6,7-dimethoxyisoquinolin-1-yl)hydrazine
PubChem CID103840464
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name(6,7-dimethoxyisoquinolin-1-yl)hydrazine
SMILESCOc1cc2ccnc(NN)c2cc1OC
InChIInChI=1S/C11H13N3O2/c1-15-9-5-7-3-4-13-11(14-12)8(7)6-10(9)16-2/h3-6H,12H2,1-2H3,(H,13,14)
InChIKeyWNYKHAFFVWVQJF-UHFFFAOYSA-N
XLogP1.54
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6,7-dimethoxyisoquinolin-1-yl)hydrazine?
The IUPAC name of (6,7-dimethoxyisoquinolin-1-yl)hydrazine (CID 103840464) is (6,7-dimethoxyisoquinolin-1-yl)hydrazine.
What is the SMILES notation for (6,7-dimethoxyisoquinolin-1-yl)hydrazine?
The canonical SMILES for (6,7-dimethoxyisoquinolin-1-yl)hydrazine is COc1cc2ccnc(NN)c2cc1OC.
What is the InChIKey of (6,7-dimethoxyisoquinolin-1-yl)hydrazine?
The InChIKey is WNYKHAFFVWVQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-15-9-5-7-3-4-13-11(14-12)8(7)6-10(9)16-2/h3-6H,12H2,1-2H3,(H,13,14).
What are the key properties of (6,7-dimethoxyisoquinolin-1-yl)hydrazine?
(6,7-dimethoxyisoquinolin-1-yl)hydrazine has a molecular weight of 219.24 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dimethoxyisoquinolin-1-yl)hydrazine is sourced from PubChem (CID 103840464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).