2-methyl-1H-quinoline-2,8-diol

C10H11NO2 — CID 66958249

IUPAC2-methyl-1H-quinoline-2,8-diol
SMILESCC1(O)C=Cc2cccc(O)c2N1
InChIInChI=1S/C10H11NO2/c1-10(13)6-5-7-3-2-4-8(12)9(7)11-10/h2-6,11-13H,1H3
InChIKeyABZLRYFYOFGCRQ-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.54
Rot. Bonds

About 2-methyl-1H-quinoline-2,8-diol

2-methyl-1H-quinoline-2,8-diol (PubChem CID 66958249) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 2-methyl-1H-quinoline-2,8-diol.

Molecular Properties

Compound Name2-methyl-1H-quinoline-2,8-diol
PubChem CID66958249
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name2-methyl-1H-quinoline-2,8-diol
SMILESCC1(O)C=Cc2cccc(O)c2N1
InChIInChI=1S/C10H11NO2/c1-10(13)6-5-7-3-2-4-8(12)9(7)11-10/h2-6,11-13H,1H3
InChIKeyABZLRYFYOFGCRQ-UHFFFAOYSA-N
XLogP1.54
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1H-quinoline-2,8-diol?
The IUPAC name of 2-methyl-1H-quinoline-2,8-diol (CID 66958249) is 2-methyl-1H-quinoline-2,8-diol.
What is the SMILES notation for 2-methyl-1H-quinoline-2,8-diol?
The canonical SMILES for 2-methyl-1H-quinoline-2,8-diol is CC1(O)C=Cc2cccc(O)c2N1.
What is the InChIKey of 2-methyl-1H-quinoline-2,8-diol?
The InChIKey is ABZLRYFYOFGCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-10(13)6-5-7-3-2-4-8(12)9(7)11-10/h2-6,11-13H,1H3.
What are the key properties of 2-methyl-1H-quinoline-2,8-diol?
2-methyl-1H-quinoline-2,8-diol has a molecular weight of 177.20 g/mol, XLogP of 1.54, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1H-quinoline-2,8-diol is sourced from PubChem (CID 66958249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).