5-methoxyisoquinoline-1-carboximidamide

C11H11N3O — CID 82573377

IUPAC5-methoxyisoquinoline-1-carboximidamide
SMILES[H]/N=C(\N)c1nccc2c(OC)cccc12
InChIInChI=1S/C11H11N3O/c1-15-9-4-2-3-8-7(9)5-6-14-10(8)11(12)13/h2-6H,1H3,(H3,12,13)
InChIKeyNARWQIJZGXQTHM-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.53
Rot. Bonds2

About 5-methoxyisoquinoline-1-carboximidamide

5-methoxyisoquinoline-1-carboximidamide (PubChem CID 82573377) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 5-methoxyisoquinoline-1-carboximidamide.

Molecular Properties

Compound Name5-methoxyisoquinoline-1-carboximidamide
PubChem CID82573377
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name5-methoxyisoquinoline-1-carboximidamide
SMILES[H]/N=C(\N)c1nccc2c(OC)cccc12
InChIInChI=1S/C11H11N3O/c1-15-9-4-2-3-8-7(9)5-6-14-10(8)11(12)13/h2-6H,1H3,(H3,12,13)
InChIKeyNARWQIJZGXQTHM-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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Related Compounds

3-quinolin-5-yloxypyrazine-2-carboximidamide
CID 103044881
N-hydroxy-5-methoxyisoquinoline-1-carboxamide
CID 82574351
6-methoxyisoquinoline-1-carboximidamide
CID 82573378
2-ethoxy-3-methoxybenzenecarboximidamide;hydrochloride
CID 82240558
2-chloro-6-(2,6-dimethoxyphenoxy)benzenecarboximidamide
CID 62496011
2-[(5-methoxyisoquinoline-1-carbonyl)amino]acetic acid
CID 82571596
3-methoxy-2-(pyridin-4-ylmethoxy)benzenecarboximidamide;hydrochloride
CID 82240729
6-(2,6-dimethoxyphenoxy)pyridine-2-carboximidamide
CID 64596167
2-hydroxy-6-methoxybenzenecarboximidamide;hydrochloride
CID 171703209
4-(2,6-dimethoxyphenoxy)-2-methylbenzenecarboximidamide
CID 81268609
3-[2-(2-methoxyethoxy)ethoxy]pyridine-2-carboximidamide
CID 113426979
3-[2-(hydroxymethyl)phenoxy]pyrazine-2-carboximidamide
CID 63654288

Frequently Asked Questions

What is the IUPAC name of 5-methoxyisoquinoline-1-carboximidamide?
The IUPAC name of 5-methoxyisoquinoline-1-carboximidamide (CID 82573377) is 5-methoxyisoquinoline-1-carboximidamide.
What is the SMILES notation for 5-methoxyisoquinoline-1-carboximidamide?
The canonical SMILES for 5-methoxyisoquinoline-1-carboximidamide is [H]/N=C(\N)c1nccc2c(OC)cccc12.
What is the InChIKey of 5-methoxyisoquinoline-1-carboximidamide?
The InChIKey is NARWQIJZGXQTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-15-9-4-2-3-8-7(9)5-6-14-10(8)11(12)13/h2-6H,1H3,(H3,12,13).
What are the key properties of 5-methoxyisoquinoline-1-carboximidamide?
5-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 5-methoxyisoquinoline-1-carboximidamide is sourced from PubChem (CID 82573377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).