2-methyl-4-pyrazol-1-ylquinolin-8-ol

C13H11N3O — CID 18404247

IUPAC2-methyl-4-pyrazol-1-ylquinolin-8-ol
SMILESCc1cc(-n2cccn2)c2cccc(O)c2n1
InChIInChI=1S/C13H11N3O/c1-9-8-11(16-7-3-6-14-16)10-4-2-5-12(17)13(10)15-9/h2-8,17H,1H3
InChIKeyCGFXFJLDDGWLRC-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.43
Rot. Bonds1

About 2-methyl-4-pyrazol-1-ylquinolin-8-ol

2-methyl-4-pyrazol-1-ylquinolin-8-ol (PubChem CID 18404247) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-methyl-4-pyrazol-1-ylquinolin-8-ol.

Molecular Properties

Compound Name2-methyl-4-pyrazol-1-ylquinolin-8-ol
PubChem CID18404247
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name2-methyl-4-pyrazol-1-ylquinolin-8-ol
SMILESCc1cc(-n2cccn2)c2cccc(O)c2n1
InChIInChI=1S/C13H11N3O/c1-9-8-11(16-7-3-6-14-16)10-4-2-5-12(17)13(10)15-9/h2-8,17H,1H3
InChIKeyCGFXFJLDDGWLRC-UHFFFAOYSA-N
XLogP2.43
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-pyrazol-1-ylquinolin-8-ol?
The IUPAC name of 2-methyl-4-pyrazol-1-ylquinolin-8-ol (CID 18404247) is 2-methyl-4-pyrazol-1-ylquinolin-8-ol.
What is the SMILES notation for 2-methyl-4-pyrazol-1-ylquinolin-8-ol?
The canonical SMILES for 2-methyl-4-pyrazol-1-ylquinolin-8-ol is Cc1cc(-n2cccn2)c2cccc(O)c2n1.
What is the InChIKey of 2-methyl-4-pyrazol-1-ylquinolin-8-ol?
The InChIKey is CGFXFJLDDGWLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-9-8-11(16-7-3-6-14-16)10-4-2-5-12(17)13(10)15-9/h2-8,17H,1H3.
What are the key properties of 2-methyl-4-pyrazol-1-ylquinolin-8-ol?
2-methyl-4-pyrazol-1-ylquinolin-8-ol has a molecular weight of 225.25 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-pyrazol-1-ylquinolin-8-ol is sourced from PubChem (CID 18404247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).