1-[(6-methoxyisoquinolin-1-yl)amino]-2,4-dimethylpentan-2-ol

C17H24N2O2 — CID 106539008

IUPAC1-[(6-methoxyisoquinolin-1-yl)amino]-2,4-dimethylpentan-2-ol
SMILESCOc1ccc2c(NCC(C)(O)CC(C)C)nccc2c1
InChIInChI=1S/C17H24N2O2/c1-12(2)10-17(3,20)11-19-16-15-6-5-14(21-4)9-13(15)7-8-18-16/h5-9,12,20H,10-11H2,1-4H3,(H,18,19)
InChIKeyHMZHBTJTKSFQAF-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.45
Rot. Bonds6

About 1-[(6-methoxyisoquinolin-1-yl)amino]-2,4-dimethylpentan-2-ol

1-[(6-methoxyisoquinolin-1-yl)amino]-2,4-dimethylpentan-2-ol (PubChem CID 106539008) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[(6-methoxyisoquinolin-1-yl)amino]-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[(6-methoxyisoquinolin-1-yl)amino]-2,4-dimethylpentan-2-ol
PubChem CID106539008
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-[(6-methoxyisoquinolin-1-yl)amino]-2,4-dimethylpentan-2-ol
SMILESCOc1ccc2c(NCC(C)(O)CC(C)C)nccc2c1
InChIInChI=1S/C17H24N2O2/c1-12(2)10-17(3,20)11-19-16-15-6-5-14(21-4)9-13(15)7-8-18-16/h5-9,12,20H,10-11H2,1-4H3,(H,18,19)
InChIKeyHMZHBTJTKSFQAF-UHFFFAOYSA-N
XLogP3.45
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(6-methoxyisoquinolin-1-yl)amino]-2,4-dimethylpentan-2-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-[(6-methoxyisoquinolin-1-yl)amino]-2,4-dimethylpentan-2-ol?
The IUPAC name of 1-[(6-methoxyisoquinolin-1-yl)amino]-2,4-dimethylpentan-2-ol (CID 106539008) is 1-[(6-methoxyisoquinolin-1-yl)amino]-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[(6-methoxyisoquinolin-1-yl)amino]-2,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[(6-methoxyisoquinolin-1-yl)amino]-2,4-dimethylpentan-2-ol is COc1ccc2c(NCC(C)(O)CC(C)C)nccc2c1.
What is the InChIKey of 1-[(6-methoxyisoquinolin-1-yl)amino]-2,4-dimethylpentan-2-ol?
The InChIKey is HMZHBTJTKSFQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12(2)10-17(3,20)11-19-16-15-6-5-14(21-4)9-13(15)7-8-18-16/h5-9,12,20H,10-11H2,1-4H3,(H,18,19).
What are the key properties of 1-[(6-methoxyisoquinolin-1-yl)amino]-2,4-dimethylpentan-2-ol?
1-[(6-methoxyisoquinolin-1-yl)amino]-2,4-dimethylpentan-2-ol has a molecular weight of 288.39 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methoxyisoquinolin-1-yl)amino]-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 106539008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).