9-hydroxy-1,3-dimethylpyrazolo[5,4-b]quinolin-4-one

C12H11N3O2 — CID 23647207

IUPAC9-hydroxy-1,3-dimethylpyrazolo[5,4-b]quinolin-4-one
SMILESCc1nn(C)c2c1c(=O)c1ccccc1n2O
InChIInChI=1S/C12H11N3O2/c1-7-10-11(16)8-5-3-4-6-9(8)15(17)12(10)14(2)13-7/h3-6,17H,1-2H3
InChIKeyZZHJXYDZNPQTSW-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.43
Rot. Bonds

About 9-hydroxy-1,3-dimethylpyrazolo[5,4-b]quinolin-4-one

9-hydroxy-1,3-dimethylpyrazolo[5,4-b]quinolin-4-one (PubChem CID 23647207) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 9-hydroxy-1,3-dimethylpyrazolo[5,4-b]quinolin-4-one.

Molecular Properties

Compound Name9-hydroxy-1,3-dimethylpyrazolo[5,4-b]quinolin-4-one
PubChem CID23647207
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name9-hydroxy-1,3-dimethylpyrazolo[5,4-b]quinolin-4-one
SMILESCc1nn(C)c2c1c(=O)c1ccccc1n2O
InChIInChI=1S/C12H11N3O2/c1-7-10-11(16)8-5-3-4-6-9(8)15(17)12(10)14(2)13-7/h3-6,17H,1-2H3
InChIKeyZZHJXYDZNPQTSW-UHFFFAOYSA-N
XLogP1.43
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-1,3-dimethylpyrazolo[5,4-b]quinolin-4-one?
The IUPAC name of 9-hydroxy-1,3-dimethylpyrazolo[5,4-b]quinolin-4-one (CID 23647207) is 9-hydroxy-1,3-dimethylpyrazolo[5,4-b]quinolin-4-one.
What is the SMILES notation for 9-hydroxy-1,3-dimethylpyrazolo[5,4-b]quinolin-4-one?
The canonical SMILES for 9-hydroxy-1,3-dimethylpyrazolo[5,4-b]quinolin-4-one is Cc1nn(C)c2c1c(=O)c1ccccc1n2O.
What is the InChIKey of 9-hydroxy-1,3-dimethylpyrazolo[5,4-b]quinolin-4-one?
The InChIKey is ZZHJXYDZNPQTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c1-7-10-11(16)8-5-3-4-6-9(8)15(17)12(10)14(2)13-7/h3-6,17H,1-2H3.
What are the key properties of 9-hydroxy-1,3-dimethylpyrazolo[5,4-b]quinolin-4-one?
9-hydroxy-1,3-dimethylpyrazolo[5,4-b]quinolin-4-one has a molecular weight of 229.24 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-1,3-dimethylpyrazolo[5,4-b]quinolin-4-one is sourced from PubChem (CID 23647207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).