1-methylisoquinolin-8-ol

C10H9NO — CID 135556685

IUPAC1-methylisoquinolin-8-ol
SMILESCc1nccc2cccc(O)c12
InChIInChI=1S/C10H9NO/c1-7-10-8(5-6-11-7)3-2-4-9(10)12/h2-6,12H,1H3
InChIKeyWSKLUHZAKVWCDE-UHFFFAOYSA-N
MW159.19 g/mol
LogP2.25
Rot. Bonds

About 1-methylisoquinolin-8-ol

1-methylisoquinolin-8-ol (PubChem CID 135556685) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 1-methylisoquinolin-8-ol.

Molecular Properties

Compound Name1-methylisoquinolin-8-ol
PubChem CID135556685
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name1-methylisoquinolin-8-ol
SMILESCc1nccc2cccc(O)c12
InChIInChI=1S/C10H9NO/c1-7-10-8(5-6-11-7)3-2-4-9(10)12/h2-6,12H,1H3
InChIKeyWSKLUHZAKVWCDE-UHFFFAOYSA-N
XLogP2.25
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylisoquinolin-8-ol?
The IUPAC name of 1-methylisoquinolin-8-ol (CID 135556685) is 1-methylisoquinolin-8-ol.
What is the SMILES notation for 1-methylisoquinolin-8-ol?
The canonical SMILES for 1-methylisoquinolin-8-ol is Cc1nccc2cccc(O)c12.
What is the InChIKey of 1-methylisoquinolin-8-ol?
The InChIKey is WSKLUHZAKVWCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c1-7-10-8(5-6-11-7)3-2-4-9(10)12/h2-6,12H,1H3.
What are the key properties of 1-methylisoquinolin-8-ol?
1-methylisoquinolin-8-ol has a molecular weight of 159.19 g/mol, XLogP of 2.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylisoquinolin-8-ol is sourced from PubChem (CID 135556685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).