(5-fluoro-7-methoxyisoquinolin-1-yl)methanamine

C11H11FN2O — CID 124505252

IUPAC(5-fluoro-7-methoxyisoquinolin-1-yl)methanamine
SMILESCOc1cc(F)c2ccnc(CN)c2c1
InChIInChI=1S/C11H11FN2O/c1-15-7-4-9-8(10(12)5-7)2-3-14-11(9)6-13/h2-5H,6,13H2,1H3
InChIKeyCMENKSWOTGJXBL-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.84
Rot. Bonds2

About (5-fluoro-7-methoxyisoquinolin-1-yl)methanamine

(5-fluoro-7-methoxyisoquinolin-1-yl)methanamine (PubChem CID 124505252) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is (5-fluoro-7-methoxyisoquinolin-1-yl)methanamine.

Molecular Properties

Compound Name(5-fluoro-7-methoxyisoquinolin-1-yl)methanamine
PubChem CID124505252
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name(5-fluoro-7-methoxyisoquinolin-1-yl)methanamine
SMILESCOc1cc(F)c2ccnc(CN)c2c1
InChIInChI=1S/C11H11FN2O/c1-15-7-4-9-8(10(12)5-7)2-3-14-11(9)6-13/h2-5H,6,13H2,1H3
InChIKeyCMENKSWOTGJXBL-UHFFFAOYSA-N
XLogP1.84
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-fluoro-7-methoxyisoquinolin-1-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-7-methoxyisoquinolin-1-yl)methanamine?
The IUPAC name of (5-fluoro-7-methoxyisoquinolin-1-yl)methanamine (CID 124505252) is (5-fluoro-7-methoxyisoquinolin-1-yl)methanamine.
What is the SMILES notation for (5-fluoro-7-methoxyisoquinolin-1-yl)methanamine?
The canonical SMILES for (5-fluoro-7-methoxyisoquinolin-1-yl)methanamine is COc1cc(F)c2ccnc(CN)c2c1.
What is the InChIKey of (5-fluoro-7-methoxyisoquinolin-1-yl)methanamine?
The InChIKey is CMENKSWOTGJXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-15-7-4-9-8(10(12)5-7)2-3-14-11(9)6-13/h2-5H,6,13H2,1H3.
What are the key properties of (5-fluoro-7-methoxyisoquinolin-1-yl)methanamine?
(5-fluoro-7-methoxyisoquinolin-1-yl)methanamine has a molecular weight of 206.22 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-7-methoxyisoquinolin-1-yl)methanamine is sourced from PubChem (CID 124505252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).