1-[1-(methylamino)propan-2-yloxy]isoquinolin-7-ol

C13H16N2O2 — CID 106541994

IUPAC1-[1-(methylamino)propan-2-yloxy]isoquinolin-7-ol
SMILESCNCC(C)Oc1nccc2ccc(O)cc12
InChIInChI=1S/C13H16N2O2/c1-9(8-14-2)17-13-12-7-11(16)4-3-10(12)5-6-15-13/h3-7,9,14,16H,8H2,1-2H3
InChIKeyXVPGBZDSDKFTPZ-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.93
Rot. Bonds4

About 1-[1-(methylamino)propan-2-yloxy]isoquinolin-7-ol

1-[1-(methylamino)propan-2-yloxy]isoquinolin-7-ol (PubChem CID 106541994) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-[1-(methylamino)propan-2-yloxy]isoquinolin-7-ol.

Molecular Properties

Compound Name1-[1-(methylamino)propan-2-yloxy]isoquinolin-7-ol
PubChem CID106541994
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-[1-(methylamino)propan-2-yloxy]isoquinolin-7-ol
SMILESCNCC(C)Oc1nccc2ccc(O)cc12
InChIInChI=1S/C13H16N2O2/c1-9(8-14-2)17-13-12-7-11(16)4-3-10(12)5-6-15-13/h3-7,9,14,16H,8H2,1-2H3
InChIKeyXVPGBZDSDKFTPZ-UHFFFAOYSA-N
XLogP1.93
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-(methylamino)propan-2-yloxy]isoquinolin-7-ol 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 1-[1-(methylamino)propan-2-yloxy]isoquinolin-7-ol?
The IUPAC name of 1-[1-(methylamino)propan-2-yloxy]isoquinolin-7-ol (CID 106541994) is 1-[1-(methylamino)propan-2-yloxy]isoquinolin-7-ol.
What is the SMILES notation for 1-[1-(methylamino)propan-2-yloxy]isoquinolin-7-ol?
The canonical SMILES for 1-[1-(methylamino)propan-2-yloxy]isoquinolin-7-ol is CNCC(C)Oc1nccc2ccc(O)cc12.
What is the InChIKey of 1-[1-(methylamino)propan-2-yloxy]isoquinolin-7-ol?
The InChIKey is XVPGBZDSDKFTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9(8-14-2)17-13-12-7-11(16)4-3-10(12)5-6-15-13/h3-7,9,14,16H,8H2,1-2H3.
What are the key properties of 1-[1-(methylamino)propan-2-yloxy]isoquinolin-7-ol?
1-[1-(methylamino)propan-2-yloxy]isoquinolin-7-ol has a molecular weight of 232.28 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(methylamino)propan-2-yloxy]isoquinolin-7-ol is sourced from PubChem (CID 106541994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).