2-(4-chlorophenyl)-5H-pyrazolo[3,4-c]quinolin-4-one

C16H10ClN3O — CID 10517992

IUPAC2-(4-chlorophenyl)-5H-pyrazolo[3,4-c]quinolin-4-one
SMILESO=c1[nH]c2ccccc2c2cn(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C16H10ClN3O/c17-10-5-7-11(8-6-10)20-9-13-12-3-1-2-4-14(12)18-16(21)15(13)19-20/h1-9H,(H,18,21)
InChIKeyAXFIIVHPUHXMCS-UHFFFAOYSA-N
MW295.73 g/mol
LogP3.52
Rot. Bonds1

About 2-(4-chlorophenyl)-5H-pyrazolo[3,4-c]quinolin-4-one

2-(4-chlorophenyl)-5H-pyrazolo[3,4-c]quinolin-4-one (PubChem CID 10517992) has the molecular formula C16H10ClN3O and a molecular weight of 295.73 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5H-pyrazolo[3,4-c]quinolin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5H-pyrazolo[3,4-c]quinolin-4-one
PubChem CID10517992
Molecular FormulaC16H10ClN3O
Molecular Weight295.73 g/mol
Exact Mass295.05
IUPAC Name2-(4-chlorophenyl)-5H-pyrazolo[3,4-c]quinolin-4-one
SMILESO=c1[nH]c2ccccc2c2cn(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C16H10ClN3O/c17-10-5-7-11(8-6-10)20-9-13-12-3-1-2-4-14(12)18-16(21)15(13)19-20/h1-9H,(H,18,21)
InChIKeyAXFIIVHPUHXMCS-UHFFFAOYSA-N
XLogP3.52
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5H-pyrazolo[3,4-c]quinolin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-5H-pyrazolo[3,4-c]quinolin-4-one (CID 10517992) is 2-(4-chlorophenyl)-5H-pyrazolo[3,4-c]quinolin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-5H-pyrazolo[3,4-c]quinolin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-5H-pyrazolo[3,4-c]quinolin-4-one is O=c1[nH]c2ccccc2c2cn(-c3ccc(Cl)cc3)nc12.
What is the InChIKey of 2-(4-chlorophenyl)-5H-pyrazolo[3,4-c]quinolin-4-one?
The InChIKey is AXFIIVHPUHXMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3O/c17-10-5-7-11(8-6-10)20-9-13-12-3-1-2-4-14(12)18-16(21)15(13)19-20/h1-9H,(H,18,21).
What are the key properties of 2-(4-chlorophenyl)-5H-pyrazolo[3,4-c]quinolin-4-one?
2-(4-chlorophenyl)-5H-pyrazolo[3,4-c]quinolin-4-one has a molecular weight of 295.73 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5H-pyrazolo[3,4-c]quinolin-4-one is sourced from PubChem (CID 10517992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).