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

C22H23N3O — CID 12016990

IUPAC5-benzyl-2-pentylpyrazolo[4,3-c]quinolin-3-one
SMILESCCCCCn1nc2c3ccccc3n(Cc3ccccc3)cc-2c1=O
InChIInChI=1S/C22H23N3O/c1-2-3-9-14-25-22(26)19-16-24(15-17-10-5-4-6-11-17)20-13-8-7-12-18(20)21(19)23-25/h4-8,10-13,16H,2-3,9,14-15H2,1H3
InChIKeyANMAIXPMUNUAQN-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.54
Rot. Bonds6

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

5-benzyl-2-pentylpyrazolo[4,3-c]quinolin-3-one (PubChem CID 12016990) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 5-benzyl-2-pentylpyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name5-benzyl-2-pentylpyrazolo[4,3-c]quinolin-3-one
PubChem CID12016990
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name5-benzyl-2-pentylpyrazolo[4,3-c]quinolin-3-one
SMILESCCCCCn1nc2c3ccccc3n(Cc3ccccc3)cc-2c1=O
InChIInChI=1S/C22H23N3O/c1-2-3-9-14-25-22(26)19-16-24(15-17-10-5-4-6-11-17)20-13-8-7-12-18(20)21(19)23-25/h4-8,10-13,16H,2-3,9,14-15H2,1H3
InChIKeyANMAIXPMUNUAQN-UHFFFAOYSA-N
XLogP4.54
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-benzyl-2-methylpyrazolo[4,3-c]quinolin-3-one
CID 12016985
5-benzyl-2-(pyridin-4-ylmethyl)pyrazolo[4,3-c]quinolin-3-one
CID 118724594
ethyl 2-[3-oxo-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-2-yl]acetate
CID 131732098
1-benzyl-3-(1-pentylindol-3-yl)-4-(1-propylindol-3-yl)pyrrole-2,5-dione
CID 11409976
2-[5-[(3-fluorophenyl)methyl]-3-oxopyrazolo[4,3-c]quinolin-2-yl]-N-(4-methylphenyl)acetamide
CID 20918686
2-[5-[(3-fluorophenyl)methyl]-3-oxopyrazolo[4,3-c]quinolin-2-yl]-N-(4-methoxyphenyl)acetamide
CID 20918697
1-benzyl-5-butylimidazo[4,5-c]quinolin-4-one
CID 3077022
2-(5-benzyl-8-fluoro-3-oxopyrazolo[4,3-c]quinolin-2-yl)-N-(3-chloro-2-methylphenyl)acetamide
CID 20918755
3,4-bis(1-dodecylindol-3-yl)pyrrole-2,5-dione
CID 139200953
1-benzyl-3-[1-(1-benzylindol-3-yl)butyl]indole
CID 22019299
methyl 1-benzyl-5-(1-benzylindol-3-yl)pyrazole-3-carboxylate
CID 141254418
5-benzyl-3-butyl-7-phenylpyrrolo[3,2-d]pyrimidin-4-one
CID 95919981

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-pentylpyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 5-benzyl-2-pentylpyrazolo[4,3-c]quinolin-3-one (CID 12016990) is 5-benzyl-2-pentylpyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 5-benzyl-2-pentylpyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 5-benzyl-2-pentylpyrazolo[4,3-c]quinolin-3-one is CCCCCn1nc2c3ccccc3n(Cc3ccccc3)cc-2c1=O.
What is the InChIKey of 5-benzyl-2-pentylpyrazolo[4,3-c]quinolin-3-one?
The InChIKey is ANMAIXPMUNUAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-2-3-9-14-25-22(26)19-16-24(15-17-10-5-4-6-11-17)20-13-8-7-12-18(20)21(19)23-25/h4-8,10-13,16H,2-3,9,14-15H2,1H3.
What are the key properties of 5-benzyl-2-pentylpyrazolo[4,3-c]quinolin-3-one?
5-benzyl-2-pentylpyrazolo[4,3-c]quinolin-3-one has a molecular weight of 345.45 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-pentylpyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 12016990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).