pyrazolo[3,4-g]quinolin-6-one

C10H5N3O — CID 70481440

IUPACpyrazolo[3,4-g]quinolin-6-one
SMILESO=C1C=Cc2cc3c(cc2=N1)C=NN=3
InChIInChI=1S/C10H5N3O/c14-10-2-1-6-3-9-7(5-11-13-9)4-8(6)12-10/h1-5H
InChIKeyOISSPIWCCIQTOK-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.17
Rot. Bonds

About pyrazolo[3,4-g]quinolin-6-one

pyrazolo[3,4-g]quinolin-6-one (PubChem CID 70481440) has the molecular formula C10H5N3O and a molecular weight of 183.17 g/mol. Its IUPAC name is pyrazolo[3,4-g]quinolin-6-one.

Molecular Properties

Compound Namepyrazolo[3,4-g]quinolin-6-one
PubChem CID70481440
Molecular FormulaC10H5N3O
Molecular Weight183.17 g/mol
Exact Mass183.04
IUPAC Namepyrazolo[3,4-g]quinolin-6-one
SMILESO=C1C=Cc2cc3c(cc2=N1)C=NN=3
InChIInChI=1S/C10H5N3O/c14-10-2-1-6-3-9-7(5-11-13-9)4-8(6)12-10/h1-5H
InChIKeyOISSPIWCCIQTOK-UHFFFAOYSA-N
XLogP-0.17
TPSA54.15 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pyrazolo[3,4-g]quinolin-6-one?
The IUPAC name of pyrazolo[3,4-g]quinolin-6-one (CID 70481440) is pyrazolo[3,4-g]quinolin-6-one.
What is the SMILES notation for pyrazolo[3,4-g]quinolin-6-one?
The canonical SMILES for pyrazolo[3,4-g]quinolin-6-one is O=C1C=Cc2cc3c(cc2=N1)C=NN=3.
What is the InChIKey of pyrazolo[3,4-g]quinolin-6-one?
The InChIKey is OISSPIWCCIQTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5N3O/c14-10-2-1-6-3-9-7(5-11-13-9)4-8(6)12-10/h1-5H.
What are the key properties of pyrazolo[3,4-g]quinolin-6-one?
pyrazolo[3,4-g]quinolin-6-one has a molecular weight of 183.17 g/mol, XLogP of -0.17, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazolo[3,4-g]quinolin-6-one is sourced from PubChem (CID 70481440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).