2-methyl-1H-isoquinoline-1,4-diol

C10H11NO2 — CID 22756100

IUPAC2-methyl-1H-isoquinoline-1,4-diol
SMILESCN1C=C(O)c2ccccc2C1O
InChIInChI=1S/C10H11NO2/c1-11-6-9(12)7-4-2-3-5-8(7)10(11)13/h2-6,10,12-13H,1H3
InChIKeyCXASZCOMDJDRLD-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.48
Rot. Bonds

About 2-methyl-1H-isoquinoline-1,4-diol

2-methyl-1H-isoquinoline-1,4-diol (PubChem CID 22756100) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 2-methyl-1H-isoquinoline-1,4-diol.

Molecular Properties

Compound Name2-methyl-1H-isoquinoline-1,4-diol
PubChem CID22756100
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name2-methyl-1H-isoquinoline-1,4-diol
SMILESCN1C=C(O)c2ccccc2C1O
InChIInChI=1S/C10H11NO2/c1-11-6-9(12)7-4-2-3-5-8(7)10(11)13/h2-6,10,12-13H,1H3
InChIKeyCXASZCOMDJDRLD-UHFFFAOYSA-N
XLogP1.48
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1H-isoquinoline-1,4-diol?
The IUPAC name of 2-methyl-1H-isoquinoline-1,4-diol (CID 22756100) is 2-methyl-1H-isoquinoline-1,4-diol.
What is the SMILES notation for 2-methyl-1H-isoquinoline-1,4-diol?
The canonical SMILES for 2-methyl-1H-isoquinoline-1,4-diol is CN1C=C(O)c2ccccc2C1O.
What is the InChIKey of 2-methyl-1H-isoquinoline-1,4-diol?
The InChIKey is CXASZCOMDJDRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-11-6-9(12)7-4-2-3-5-8(7)10(11)13/h2-6,10,12-13H,1H3.
What are the key properties of 2-methyl-1H-isoquinoline-1,4-diol?
2-methyl-1H-isoquinoline-1,4-diol has a molecular weight of 177.20 g/mol, XLogP of 1.48, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1H-isoquinoline-1,4-diol is sourced from PubChem (CID 22756100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).