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

C17H13N3O — CID 171356553

IUPAC1-benzyl-5H-pyrazolo[4,5-c]quinolin-4-one
SMILESO=c1[nH]c2ccccc2c2c1cnn2Cc1ccccc1
InChIInChI=1S/C17H13N3O/c21-17-14-10-18-20(11-12-6-2-1-3-7-12)16(14)13-8-4-5-9-15(13)19-17/h1-10H,11H2,(H,19,21)
InChIKeyUGSZNZXWPAOXDQ-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.93
Rot. Bonds2

About 1-benzyl-5H-pyrazolo[4,5-c]quinolin-4-one

1-benzyl-5H-pyrazolo[4,5-c]quinolin-4-one (PubChem CID 171356553) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-benzyl-5H-pyrazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name1-benzyl-5H-pyrazolo[4,5-c]quinolin-4-one
PubChem CID171356553
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name1-benzyl-5H-pyrazolo[4,5-c]quinolin-4-one
SMILESO=c1[nH]c2ccccc2c2c1cnn2Cc1ccccc1
InChIInChI=1S/C17H13N3O/c21-17-14-10-18-20(11-12-6-2-1-3-7-12)16(14)13-8-4-5-9-15(13)19-17/h1-10H,11H2,(H,19,21)
InChIKeyUGSZNZXWPAOXDQ-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 1-benzyl-5H-pyrazolo[4,5-c]quinolin-4-one?
The IUPAC name of 1-benzyl-5H-pyrazolo[4,5-c]quinolin-4-one (CID 171356553) is 1-benzyl-5H-pyrazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 1-benzyl-5H-pyrazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 1-benzyl-5H-pyrazolo[4,5-c]quinolin-4-one is O=c1[nH]c2ccccc2c2c1cnn2Cc1ccccc1.
What is the InChIKey of 1-benzyl-5H-pyrazolo[4,5-c]quinolin-4-one?
The InChIKey is UGSZNZXWPAOXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c21-17-14-10-18-20(11-12-6-2-1-3-7-12)16(14)13-8-4-5-9-15(13)19-17/h1-10H,11H2,(H,19,21).
What are the key properties of 1-benzyl-5H-pyrazolo[4,5-c]quinolin-4-one?
1-benzyl-5H-pyrazolo[4,5-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 1-benzyl-5H-pyrazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 171356553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).