1-isoquinolin-5-yl-2-methoxyethanol

C12H13NO2 — CID 62813668

IUPAC1-isoquinolin-5-yl-2-methoxyethanol
SMILESCOCC(O)c1cccc2cnccc12
InChIInChI=1S/C12H13NO2/c1-15-8-12(14)11-4-2-3-9-7-13-6-5-10(9)11/h2-7,12,14H,8H2,1H3
InChIKeyCZSOBJXBMJONGM-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.91
Rot. Bonds3

About 1-isoquinolin-5-yl-2-methoxyethanol

1-isoquinolin-5-yl-2-methoxyethanol (PubChem CID 62813668) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-isoquinolin-5-yl-2-methoxyethanol.

Molecular Properties

Compound Name1-isoquinolin-5-yl-2-methoxyethanol
PubChem CID62813668
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name1-isoquinolin-5-yl-2-methoxyethanol
SMILESCOCC(O)c1cccc2cnccc12
InChIInChI=1S/C12H13NO2/c1-15-8-12(14)11-4-2-3-9-7-13-6-5-10(9)11/h2-7,12,14H,8H2,1H3
InChIKeyCZSOBJXBMJONGM-UHFFFAOYSA-N
XLogP1.91
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-isoquinolin-4-yl-2-methoxyethanol
CID 63940937
1-isoquinolin-5-yl-2-methoxy-N-methylethanamine
CID 62814012
4-ethoxy-1-isoquinolin-5-ylbutan-1-ol
CID 105094595
(1S)-1-isoquinolin-5-ylethanol
CID 94831084
3,3,3-trifluoro-1-isoquinolin-5-ylpropan-1-ol
CID 62813667
2-(3,5-difluorophenyl)-1-isoquinolin-5-ylethanol
CID 62813513
1-isoquinolin-5-yl-3-(3-methylphenyl)propan-1-ol
CID 105094616
1-isoquinolin-5-yl-3-sulfanylpropane-1,2-diol
CID 170820096
1-isoquinolin-8-yl-3-methoxy-3-methylbutan-1-ol
CID 103139145
1-isoquinolin-5-yl-3-(methylamino)propane-1,2-diol
CID 171858165
1-isoquinolin-5-yl-2-(3-methylphenyl)sulfanylethanol
CID 66087167
2-amino-2-isoquinolin-5-ylethanol
CID 55271452

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-5-yl-2-methoxyethanol?
The IUPAC name of 1-isoquinolin-5-yl-2-methoxyethanol (CID 62813668) is 1-isoquinolin-5-yl-2-methoxyethanol.
What is the SMILES notation for 1-isoquinolin-5-yl-2-methoxyethanol?
The canonical SMILES for 1-isoquinolin-5-yl-2-methoxyethanol is COCC(O)c1cccc2cnccc12.
What is the InChIKey of 1-isoquinolin-5-yl-2-methoxyethanol?
The InChIKey is CZSOBJXBMJONGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-15-8-12(14)11-4-2-3-9-7-13-6-5-10(9)11/h2-7,12,14H,8H2,1H3.
What are the key properties of 1-isoquinolin-5-yl-2-methoxyethanol?
1-isoquinolin-5-yl-2-methoxyethanol has a molecular weight of 203.24 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-5-yl-2-methoxyethanol is sourced from PubChem (CID 62813668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).