6-methoxyisoquinoline-1-carboximidamide

C11H11N3O — CID 82573378

IUPAC6-methoxyisoquinoline-1-carboximidamide
SMILES[H]/N=C(\N)c1nccc2cc(OC)ccc12
InChIInChI=1S/C11H11N3O/c1-15-8-2-3-9-7(6-8)4-5-14-10(9)11(12)13/h2-6H,1H3,(H3,12,13)
InChIKeyLFBALBFFPQCZFU-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.53
Rot. Bonds2

About 6-methoxyisoquinoline-1-carboximidamide

6-methoxyisoquinoline-1-carboximidamide (PubChem CID 82573378) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 6-methoxyisoquinoline-1-carboximidamide.

Molecular Properties

Compound Name6-methoxyisoquinoline-1-carboximidamide
PubChem CID82573378
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name6-methoxyisoquinoline-1-carboximidamide
SMILES[H]/N=C(\N)c1nccc2cc(OC)ccc12
InChIInChI=1S/C11H11N3O/c1-15-8-2-3-9-7(6-8)4-5-14-10(9)11(12)13/h2-6H,1H3,(H3,12,13)
InChIKeyLFBALBFFPQCZFU-UHFFFAOYSA-N
XLogP1.53
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methoxyisoquinoline-1-carboximidamide?
The IUPAC name of 6-methoxyisoquinoline-1-carboximidamide (CID 82573378) is 6-methoxyisoquinoline-1-carboximidamide.
What is the SMILES notation for 6-methoxyisoquinoline-1-carboximidamide?
The canonical SMILES for 6-methoxyisoquinoline-1-carboximidamide is [H]/N=C(\N)c1nccc2cc(OC)ccc12.
What is the InChIKey of 6-methoxyisoquinoline-1-carboximidamide?
The InChIKey is LFBALBFFPQCZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-15-8-2-3-9-7(6-8)4-5-14-10(9)11(12)13/h2-6H,1H3,(H3,12,13).
What are the key properties of 6-methoxyisoquinoline-1-carboximidamide?
6-methoxyisoquinoline-1-carboximidamide has a molecular weight of 201.23 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxyisoquinoline-1-carboximidamide is sourced from PubChem (CID 82573378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).