1-methoxyisoquinolin-5-amine

C10H10N2O — CID 18545441

IUPAC1-methoxyisoquinolin-5-amine
SMILESCOc1nccc2c(N)cccc12
InChIInChI=1S/C10H10N2O/c1-13-10-8-3-2-4-9(11)7(8)5-6-12-10/h2-6H,11H2,1H3
InChIKeyWMABIBWLZLPHKF-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.83
Rot. Bonds1

About 1-methoxyisoquinolin-5-amine

1-methoxyisoquinolin-5-amine (PubChem CID 18545441) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 1-methoxyisoquinolin-5-amine.

Molecular Properties

Compound Name1-methoxyisoquinolin-5-amine
PubChem CID18545441
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name1-methoxyisoquinolin-5-amine
SMILESCOc1nccc2c(N)cccc12
InChIInChI=1S/C10H10N2O/c1-13-10-8-3-2-4-9(11)7(8)5-6-12-10/h2-6H,11H2,1H3
InChIKeyWMABIBWLZLPHKF-UHFFFAOYSA-N
XLogP1.83
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxyisoquinolin-5-amine?
The IUPAC name of 1-methoxyisoquinolin-5-amine (CID 18545441) is 1-methoxyisoquinolin-5-amine.
What is the SMILES notation for 1-methoxyisoquinolin-5-amine?
The canonical SMILES for 1-methoxyisoquinolin-5-amine is COc1nccc2c(N)cccc12.
What is the InChIKey of 1-methoxyisoquinolin-5-amine?
The InChIKey is WMABIBWLZLPHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-13-10-8-3-2-4-9(11)7(8)5-6-12-10/h2-6H,11H2,1H3.
What are the key properties of 1-methoxyisoquinolin-5-amine?
1-methoxyisoquinolin-5-amine has a molecular weight of 174.20 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyisoquinolin-5-amine is sourced from PubChem (CID 18545441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).