[1-(oxetan-3-yloxy)isoquinolin-4-yl]methanamine

C13H14N2O2 — CID 106777582

IUPAC[1-(oxetan-3-yloxy)isoquinolin-4-yl]methanamine
SMILESNCc1cnc(OC2COC2)c2ccccc12
InChIInChI=1S/C13H14N2O2/c14-5-9-6-15-13(17-10-7-16-8-10)12-4-2-1-3-11(9)12/h1-4,6,10H,5,7-8,14H2
InChIKeyGSFGBUVOEYRYQS-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.47
Rot. Bonds3

About [1-(oxetan-3-yloxy)isoquinolin-4-yl]methanamine

[1-(oxetan-3-yloxy)isoquinolin-4-yl]methanamine (PubChem CID 106777582) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is [1-(oxetan-3-yloxy)isoquinolin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(oxetan-3-yloxy)isoquinolin-4-yl]methanamine
PubChem CID106777582
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name[1-(oxetan-3-yloxy)isoquinolin-4-yl]methanamine
SMILESNCc1cnc(OC2COC2)c2ccccc12
InChIInChI=1S/C13H14N2O2/c14-5-9-6-15-13(17-10-7-16-8-10)12-4-2-1-3-11(9)12/h1-4,6,10H,5,7-8,14H2
InChIKeyGSFGBUVOEYRYQS-UHFFFAOYSA-N
XLogP1.47
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(oxetan-3-yloxy)isoquinolin-4-yl]methanamine?
The IUPAC name of [1-(oxetan-3-yloxy)isoquinolin-4-yl]methanamine (CID 106777582) is [1-(oxetan-3-yloxy)isoquinolin-4-yl]methanamine.
What is the SMILES notation for [1-(oxetan-3-yloxy)isoquinolin-4-yl]methanamine?
The canonical SMILES for [1-(oxetan-3-yloxy)isoquinolin-4-yl]methanamine is NCc1cnc(OC2COC2)c2ccccc12.
What is the InChIKey of [1-(oxetan-3-yloxy)isoquinolin-4-yl]methanamine?
The InChIKey is GSFGBUVOEYRYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c14-5-9-6-15-13(17-10-7-16-8-10)12-4-2-1-3-11(9)12/h1-4,6,10H,5,7-8,14H2.
What are the key properties of [1-(oxetan-3-yloxy)isoquinolin-4-yl]methanamine?
[1-(oxetan-3-yloxy)isoquinolin-4-yl]methanamine has a molecular weight of 230.27 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxetan-3-yloxy)isoquinolin-4-yl]methanamine is sourced from PubChem (CID 106777582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).