1-(6-methoxyisoquinolin-1-yl)pyrrolidine-3,4-diol

C14H16N2O3 — CID 106673213

IUPAC1-(6-methoxyisoquinolin-1-yl)pyrrolidine-3,4-diol
SMILESCOc1ccc2c(N3CC(O)C(O)C3)nccc2c1
InChIInChI=1S/C14H16N2O3/c1-19-10-2-3-11-9(6-10)4-5-15-14(11)16-7-12(17)13(18)8-16/h2-6,12-13,17-18H,7-8H2,1H3
InChIKeyXMOGOYRYLLYBPA-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.79
Rot. Bonds2

About 1-(6-methoxyisoquinolin-1-yl)pyrrolidine-3,4-diol

1-(6-methoxyisoquinolin-1-yl)pyrrolidine-3,4-diol (PubChem CID 106673213) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-(6-methoxyisoquinolin-1-yl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-(6-methoxyisoquinolin-1-yl)pyrrolidine-3,4-diol
PubChem CID106673213
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-(6-methoxyisoquinolin-1-yl)pyrrolidine-3,4-diol
SMILESCOc1ccc2c(N3CC(O)C(O)C3)nccc2c1
InChIInChI=1S/C14H16N2O3/c1-19-10-2-3-11-9(6-10)4-5-15-14(11)16-7-12(17)13(18)8-16/h2-6,12-13,17-18H,7-8H2,1H3
InChIKeyXMOGOYRYLLYBPA-UHFFFAOYSA-N
XLogP0.79
TPSA65.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(7-methoxyisoquinolin-1-yl)azetidin-3-amine
CID 106540757
1-(4-ethylpiperazin-1-yl)-6-methoxyisoquinoline
CID 23155942
4-[[(6-methoxyisoquinolin-1-yl)amino]methyl]cyclohexan-1-ol
CID 106130064
1-(2-ethylimidazol-1-yl)-6-methoxyisoquinoline
CID 106543680
1-(6-methoxyisoquinolin-1-yl)-3,5-dimethylpyrazol-4-amine
CID 106541702
1-(6-methoxyisoquinolin-1-yl)-2-methylpyrrolidine-2-carboxylic acid
CID 106536199
1-[2-(chloromethyl)azepan-1-yl]-6-methoxyisoquinoline
CID 106543197
1-(2-ethylpiperazin-1-yl)-6-methoxyisoquinoline
CID 106542356
[1-(7-methoxyisoquinolin-1-yl)piperidin-4-yl]methanamine
CID 106536607
1-(6-methoxyisoquinolin-1-yl)-4-methylpyrazol-3-amine
CID 106541738
4-(6-methoxyisoquinolin-1-yl)cyclohexan-1-amine
CID 116995399
7-methoxy-1-piperazin-1-ylisoquinoline
CID 23155836

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxyisoquinolin-1-yl)pyrrolidine-3,4-diol?
The IUPAC name of 1-(6-methoxyisoquinolin-1-yl)pyrrolidine-3,4-diol (CID 106673213) is 1-(6-methoxyisoquinolin-1-yl)pyrrolidine-3,4-diol.
What is the SMILES notation for 1-(6-methoxyisoquinolin-1-yl)pyrrolidine-3,4-diol?
The canonical SMILES for 1-(6-methoxyisoquinolin-1-yl)pyrrolidine-3,4-diol is COc1ccc2c(N3CC(O)C(O)C3)nccc2c1.
What is the InChIKey of 1-(6-methoxyisoquinolin-1-yl)pyrrolidine-3,4-diol?
The InChIKey is XMOGOYRYLLYBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-19-10-2-3-11-9(6-10)4-5-15-14(11)16-7-12(17)13(18)8-16/h2-6,12-13,17-18H,7-8H2,1H3.
What are the key properties of 1-(6-methoxyisoquinolin-1-yl)pyrrolidine-3,4-diol?
1-(6-methoxyisoquinolin-1-yl)pyrrolidine-3,4-diol has a molecular weight of 260.29 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxyisoquinolin-1-yl)pyrrolidine-3,4-diol is sourced from PubChem (CID 106673213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).