5,7-dimethylisoquinolin-4-ol

C11H11NO — CID 121420709

IUPAC5,7-dimethylisoquinolin-4-ol
SMILESCc1cc(C)c2c(O)cncc2c1
InChIInChI=1S/C11H11NO/c1-7-3-8(2)11-9(4-7)5-12-6-10(11)13/h3-6,13H,1-2H3
InChIKeyZPIFRIKRSQINGH-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.56
Rot. Bonds

About 5,7-dimethylisoquinolin-4-ol

5,7-dimethylisoquinolin-4-ol (PubChem CID 121420709) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 5,7-dimethylisoquinolin-4-ol.

Molecular Properties

Compound Name5,7-dimethylisoquinolin-4-ol
PubChem CID121420709
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name5,7-dimethylisoquinolin-4-ol
SMILESCc1cc(C)c2c(O)cncc2c1
InChIInChI=1S/C11H11NO/c1-7-3-8(2)11-9(4-7)5-12-6-10(11)13/h3-6,13H,1-2H3
InChIKeyZPIFRIKRSQINGH-UHFFFAOYSA-N
XLogP2.56
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethylisoquinolin-4-ol?
The IUPAC name of 5,7-dimethylisoquinolin-4-ol (CID 121420709) is 5,7-dimethylisoquinolin-4-ol.
What is the SMILES notation for 5,7-dimethylisoquinolin-4-ol?
The canonical SMILES for 5,7-dimethylisoquinolin-4-ol is Cc1cc(C)c2c(O)cncc2c1.
What is the InChIKey of 5,7-dimethylisoquinolin-4-ol?
The InChIKey is ZPIFRIKRSQINGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-7-3-8(2)11-9(4-7)5-12-6-10(11)13/h3-6,13H,1-2H3.
What are the key properties of 5,7-dimethylisoquinolin-4-ol?
5,7-dimethylisoquinolin-4-ol has a molecular weight of 173.21 g/mol, XLogP of 2.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethylisoquinolin-4-ol is sourced from PubChem (CID 121420709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).