2-isoquinolin-8-yl-1-methoxypropan-2-ol

C13H15NO2 — CID 103142735

IUPAC2-isoquinolin-8-yl-1-methoxypropan-2-ol
SMILESCOCC(C)(O)c1cccc2ccncc12
InChIInChI=1S/C13H15NO2/c1-13(15,9-16-2)12-5-3-4-10-6-7-14-8-11(10)12/h3-8,15H,9H2,1-2H3
InChIKeyAQCKRJHSKLSNOJ-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.09
Rot. Bonds3

About 2-isoquinolin-8-yl-1-methoxypropan-2-ol

2-isoquinolin-8-yl-1-methoxypropan-2-ol (PubChem CID 103142735) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-isoquinolin-8-yl-1-methoxypropan-2-ol.

Molecular Properties

Compound Name2-isoquinolin-8-yl-1-methoxypropan-2-ol
PubChem CID103142735
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-isoquinolin-8-yl-1-methoxypropan-2-ol
SMILESCOCC(C)(O)c1cccc2ccncc12
InChIInChI=1S/C13H15NO2/c1-13(15,9-16-2)12-5-3-4-10-6-7-14-8-11(10)12/h3-8,15H,9H2,1-2H3
InChIKeyAQCKRJHSKLSNOJ-UHFFFAOYSA-N
XLogP2.09
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-isoquinolin-8-yl-1-methoxypropan-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

Related Compounds

2-isoquinolin-8-yl-1-methoxybutan-2-amine
CID 103143248
3-isoquinolin-8-ylpentan-3-ol
CID 103142702
1-isoquinolin-8-yl-1-(2-methylphenyl)ethanol
CID 103142671
1-(2-fluorophenyl)-1-isoquinolin-8-ylethanol
CID 103142678
5-amino-2-isoquinolin-5-yl-1-methoxypentan-2-ol
CID 103391450
1-isoquinolin-8-yl-1-(3-methoxyphenyl)ethanamine
CID 103143227
1-(tert-butylamino)-2-isoquinolin-5-ylpropan-2-ol
CID 66038703
2-amino-1-isoquinolin-8-yl-1-phenylethanol
CID 103143061
isoquinolin-8-ol
CID 135441711
2-isoquinolin-5-yl-3-methylpentan-2-ol
CID 62813485
1-isoquinolin-8-yl-3-methoxy-3-methylbutan-1-ol
CID 103139145
1-methoxy-2-pyrazin-2-ylpropan-2-ol
CID 63967745

Frequently Asked Questions

What is the IUPAC name of 2-isoquinolin-8-yl-1-methoxypropan-2-ol?
The IUPAC name of 2-isoquinolin-8-yl-1-methoxypropan-2-ol (CID 103142735) is 2-isoquinolin-8-yl-1-methoxypropan-2-ol.
What is the SMILES notation for 2-isoquinolin-8-yl-1-methoxypropan-2-ol?
The canonical SMILES for 2-isoquinolin-8-yl-1-methoxypropan-2-ol is COCC(C)(O)c1cccc2ccncc12.
What is the InChIKey of 2-isoquinolin-8-yl-1-methoxypropan-2-ol?
The InChIKey is AQCKRJHSKLSNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-13(15,9-16-2)12-5-3-4-10-6-7-14-8-11(10)12/h3-8,15H,9H2,1-2H3.
What are the key properties of 2-isoquinolin-8-yl-1-methoxypropan-2-ol?
2-isoquinolin-8-yl-1-methoxypropan-2-ol has a molecular weight of 217.27 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isoquinolin-8-yl-1-methoxypropan-2-ol is sourced from PubChem (CID 103142735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).