2-benzyl-5H-pyrazolo[3,4-c]quinolin-4-one

C17H13N3O — CID 10636110

IUPAC2-benzyl-5H-pyrazolo[3,4-c]quinolin-4-one
SMILESO=c1[nH]c2ccccc2c2cn(Cc3ccccc3)nc12
InChIInChI=1S/C17H13N3O/c21-17-16-14(13-8-4-5-9-15(13)18-17)11-20(19-16)10-12-6-2-1-3-7-12/h1-9,11H,10H2,(H,18,21)
InChIKeyXJRYZVBNFXKWFF-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.93
Rot. Bonds2

About 2-benzyl-5H-pyrazolo[3,4-c]quinolin-4-one

2-benzyl-5H-pyrazolo[3,4-c]quinolin-4-one (PubChem CID 10636110) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-benzyl-5H-pyrazolo[3,4-c]quinolin-4-one.

Molecular Properties

Compound Name2-benzyl-5H-pyrazolo[3,4-c]quinolin-4-one
PubChem CID10636110
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name2-benzyl-5H-pyrazolo[3,4-c]quinolin-4-one
SMILESO=c1[nH]c2ccccc2c2cn(Cc3ccccc3)nc12
InChIInChI=1S/C17H13N3O/c21-17-16-14(13-8-4-5-9-15(13)18-17)11-20(19-16)10-12-6-2-1-3-7-12/h1-9,11H,10H2,(H,18,21)
InChIKeyXJRYZVBNFXKWFF-UHFFFAOYSA-N
XLogP2.93
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5H-pyrazolo[3,4-c]quinolin-4-one?
The IUPAC name of 2-benzyl-5H-pyrazolo[3,4-c]quinolin-4-one (CID 10636110) is 2-benzyl-5H-pyrazolo[3,4-c]quinolin-4-one.
What is the SMILES notation for 2-benzyl-5H-pyrazolo[3,4-c]quinolin-4-one?
The canonical SMILES for 2-benzyl-5H-pyrazolo[3,4-c]quinolin-4-one is O=c1[nH]c2ccccc2c2cn(Cc3ccccc3)nc12.
What is the InChIKey of 2-benzyl-5H-pyrazolo[3,4-c]quinolin-4-one?
The InChIKey is XJRYZVBNFXKWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c21-17-16-14(13-8-4-5-9-15(13)18-17)11-20(19-16)10-12-6-2-1-3-7-12/h1-9,11H,10H2,(H,18,21).
What are the key properties of 2-benzyl-5H-pyrazolo[3,4-c]quinolin-4-one?
2-benzyl-5H-pyrazolo[3,4-c]quinolin-4-one has a molecular weight of 275.31 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5H-pyrazolo[3,4-c]quinolin-4-one is sourced from PubChem (CID 10636110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).