2-(6-methoxyisoquinolin-1-yl)propan-2-ol

C13H15NO2 — CID 116995429

IUPAC2-(6-methoxyisoquinolin-1-yl)propan-2-ol
SMILESCOc1ccc2c(C(C)(C)O)nccc2c1
InChIInChI=1S/C13H15NO2/c1-13(2,15)12-11-5-4-10(16-3)8-9(11)6-7-14-12/h4-8,15H,1-3H3
InChIKeyQYJBSHWVHUHIGT-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.47
Rot. Bonds2

About 2-(6-methoxyisoquinolin-1-yl)propan-2-ol

2-(6-methoxyisoquinolin-1-yl)propan-2-ol (PubChem CID 116995429) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(6-methoxyisoquinolin-1-yl)propan-2-ol.

Molecular Properties

Compound Name2-(6-methoxyisoquinolin-1-yl)propan-2-ol
PubChem CID116995429
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-(6-methoxyisoquinolin-1-yl)propan-2-ol
SMILESCOc1ccc2c(C(C)(C)O)nccc2c1
InChIInChI=1S/C13H15NO2/c1-13(2,15)12-11-5-4-10(16-3)8-9(11)6-7-14-12/h4-8,15H,1-3H3
InChIKeyQYJBSHWVHUHIGT-UHFFFAOYSA-N
XLogP2.47
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-6-methoxyisoquinoline;ethane
CID 91465219
1-[(6-methoxyisoquinolin-1-yl)amino]-2-methylpentan-2-ol
CID 106290621
1-[(6-methoxyisoquinolin-1-yl)amino]-2,4-dimethylpentan-2-ol
CID 106539008
(S)-(6-methoxyisoquinolin-1-yl)-(4-methoxyphenyl)methanol
CID 125482431
(6-methoxyisoquinolin-1-yl) hydrogen carbonate
CID 70843477
N-(2-ethylbutyl)-6-methoxyisoquinolin-1-amine
CID 106539875
N-(6-methoxyisoquinolin-1-yl)-N,3,3-trimethylbutanamide
CID 142430525
1-N-(6-methoxyisoquinolin-1-yl)-4,4-dimethylpentane-1,2-diamine
CID 107159174
6-methoxyisoquinoline-1-carboximidamide
CID 82573378
1-(6-methoxyisoquinolin-1-yl)pyrrolidine-3,4-diol
CID 106673213
3-[(6-methoxyisoquinolin-1-yl)amino]-N,2,2-trimethylpropanamide
CID 106278262
3-[[(6-methoxyisoquinolin-1-yl)amino]methyl]pentan-1-ol
CID 106539125

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxyisoquinolin-1-yl)propan-2-ol?
The IUPAC name of 2-(6-methoxyisoquinolin-1-yl)propan-2-ol (CID 116995429) is 2-(6-methoxyisoquinolin-1-yl)propan-2-ol.
What is the SMILES notation for 2-(6-methoxyisoquinolin-1-yl)propan-2-ol?
The canonical SMILES for 2-(6-methoxyisoquinolin-1-yl)propan-2-ol is COc1ccc2c(C(C)(C)O)nccc2c1.
What is the InChIKey of 2-(6-methoxyisoquinolin-1-yl)propan-2-ol?
The InChIKey is QYJBSHWVHUHIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-13(2,15)12-11-5-4-10(16-3)8-9(11)6-7-14-12/h4-8,15H,1-3H3.
What are the key properties of 2-(6-methoxyisoquinolin-1-yl)propan-2-ol?
2-(6-methoxyisoquinolin-1-yl)propan-2-ol has a molecular weight of 217.27 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxyisoquinolin-1-yl)propan-2-ol is sourced from PubChem (CID 116995429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).