5-benzyl-2-(pyridin-4-ylmethyl)pyrazolo[4,3-c]quinolin-3-one

C23H18N4O — CID 118724594

IUPAC5-benzyl-2-(pyridin-4-ylmethyl)pyrazolo[4,3-c]quinolin-3-one
SMILESO=c1c2cn(Cc3ccccc3)c3ccccc3c-2nn1Cc1ccncc1
InChIInChI=1S/C23H18N4O/c28-23-20-16-26(14-17-6-2-1-3-7-17)21-9-5-4-8-19(21)22(20)25-27(23)15-18-10-12-24-13-11-18/h1-13,16H,14-15H2
InChIKeyPPFGARWTFBIDEI-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.79
Rot. Bonds4

About 5-benzyl-2-(pyridin-4-ylmethyl)pyrazolo[4,3-c]quinolin-3-one

5-benzyl-2-(pyridin-4-ylmethyl)pyrazolo[4,3-c]quinolin-3-one (PubChem CID 118724594) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is 5-benzyl-2-(pyridin-4-ylmethyl)pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name5-benzyl-2-(pyridin-4-ylmethyl)pyrazolo[4,3-c]quinolin-3-one
PubChem CID118724594
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC Name5-benzyl-2-(pyridin-4-ylmethyl)pyrazolo[4,3-c]quinolin-3-one
SMILESO=c1c2cn(Cc3ccccc3)c3ccccc3c-2nn1Cc1ccncc1
InChIInChI=1S/C23H18N4O/c28-23-20-16-26(14-17-6-2-1-3-7-17)21-9-5-4-8-19(21)22(20)25-27(23)15-18-10-12-24-13-11-18/h1-13,16H,14-15H2
InChIKeyPPFGARWTFBIDEI-UHFFFAOYSA-N
XLogP3.79
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-benzyl-2-pentylpyrazolo[4,3-c]quinolin-3-one
CID 12016990
5-benzyl-2-methylpyrazolo[4,3-c]quinolin-3-one
CID 12016985
2-[1-(pyridin-4-ylmethyl)indol-3-yl]acetic acid
CID 22071716
ethyl 2-[3-oxo-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-2-yl]acetate
CID 131732098
2-[5-[(3-fluorophenyl)methyl]-3-oxopyrazolo[4,3-c]quinolin-2-yl]-N-(4-methylphenyl)acetamide
CID 20918686
methyl 1-benzyl-5-(1-benzylindol-3-yl)pyrazole-3-carboxylate
CID 141254418
2-piperidin-4-yl-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one
CID 67111534
8-fluoro-2-[(2-fluorophenyl)methyl]-5-[(3-methylphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one
CID 20918663
sodium 1-benzyl-3-(1-benzylindol-3-yl)pyrazole-5-carboxylate
CID 141254414
2-[5-[(3-fluorophenyl)methyl]-3-oxopyrazolo[4,3-c]quinolin-2-yl]-N-(4-methoxyphenyl)acetamide
CID 20918697
1-[(4-chlorophenyl)methyl]-5-[1-[(4-chlorophenyl)methyl]indol-3-yl]pyrazole-3-carboxylic acid
CID 141254377
1-benzyl-3-(2H-tetrazol-5-yl)quinolin-4-one
CID 155663250

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-(pyridin-4-ylmethyl)pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 5-benzyl-2-(pyridin-4-ylmethyl)pyrazolo[4,3-c]quinolin-3-one (CID 118724594) is 5-benzyl-2-(pyridin-4-ylmethyl)pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 5-benzyl-2-(pyridin-4-ylmethyl)pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 5-benzyl-2-(pyridin-4-ylmethyl)pyrazolo[4,3-c]quinolin-3-one is O=c1c2cn(Cc3ccccc3)c3ccccc3c-2nn1Cc1ccncc1.
What is the InChIKey of 5-benzyl-2-(pyridin-4-ylmethyl)pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is PPFGARWTFBIDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O/c28-23-20-16-26(14-17-6-2-1-3-7-17)21-9-5-4-8-19(21)22(20)25-27(23)15-18-10-12-24-13-11-18/h1-13,16H,14-15H2.
What are the key properties of 5-benzyl-2-(pyridin-4-ylmethyl)pyrazolo[4,3-c]quinolin-3-one?
5-benzyl-2-(pyridin-4-ylmethyl)pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 366.42 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-(pyridin-4-ylmethyl)pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 118724594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).