1-methylisoquinoline-6,7-diol

C10H9NO2 — CID 135511237

IUPAC1-methylisoquinoline-6,7-diol
SMILESCc1nccc2cc(O)c(O)cc12
InChIInChI=1S/C10H9NO2/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6/h2-5,12-13H,1H3
InChIKeyZHJMCJIZYGTPMH-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.95
Rot. Bonds

About 1-methylisoquinoline-6,7-diol

1-methylisoquinoline-6,7-diol (PubChem CID 135511237) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 1-methylisoquinoline-6,7-diol.

Molecular Properties

Compound Name1-methylisoquinoline-6,7-diol
PubChem CID135511237
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name1-methylisoquinoline-6,7-diol
SMILESCc1nccc2cc(O)c(O)cc12
InChIInChI=1S/C10H9NO2/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6/h2-5,12-13H,1H3
InChIKeyZHJMCJIZYGTPMH-UHFFFAOYSA-N
XLogP1.95
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 1-methylisoquinoline-6,7-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methylisoquinoline-6,7-diol?
The IUPAC name of 1-methylisoquinoline-6,7-diol (CID 135511237) is 1-methylisoquinoline-6,7-diol.
What is the SMILES notation for 1-methylisoquinoline-6,7-diol?
The canonical SMILES for 1-methylisoquinoline-6,7-diol is Cc1nccc2cc(O)c(O)cc12.
What is the InChIKey of 1-methylisoquinoline-6,7-diol?
The InChIKey is ZHJMCJIZYGTPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6/h2-5,12-13H,1H3.
What are the key properties of 1-methylisoquinoline-6,7-diol?
1-methylisoquinoline-6,7-diol has a molecular weight of 175.19 g/mol, XLogP of 1.95, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylisoquinoline-6,7-diol is sourced from PubChem (CID 135511237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).