2,5-dipentylpyrazolo[4,3-c]quinolin-3-one

C20H27N3O — CID 118577959

IUPAC2,5-dipentylpyrazolo[4,3-c]quinolin-3-one
SMILESCCCCCn1nc2c3ccccc3n(CCCCC)cc-2c1=O
InChIInChI=1S/C20H27N3O/c1-3-5-9-13-22-15-17-19(16-11-7-8-12-18(16)22)21-23(20(17)24)14-10-6-4-2/h7-8,11-12,15H,3-6,9-10,13-14H2,1-2H3
InChIKeyAWECDMXIYDDBJV-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.68
Rot. Bonds8

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

2,5-dipentylpyrazolo[4,3-c]quinolin-3-one (PubChem CID 118577959) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 2,5-dipentylpyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name2,5-dipentylpyrazolo[4,3-c]quinolin-3-one
PubChem CID118577959
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name2,5-dipentylpyrazolo[4,3-c]quinolin-3-one
SMILESCCCCCn1nc2c3ccccc3n(CCCCC)cc-2c1=O
InChIInChI=1S/C20H27N3O/c1-3-5-9-13-22-15-17-19(16-11-7-8-12-18(16)22)21-23(20(17)24)14-10-6-4-2/h7-8,11-12,15H,3-6,9-10,13-14H2,1-2H3
InChIKeyAWECDMXIYDDBJV-UHFFFAOYSA-N
XLogP4.68
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,5-dipentylpyrazolo[4,3-c]quinolin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-dipentylpyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 2,5-dipentylpyrazolo[4,3-c]quinolin-3-one (CID 118577959) is 2,5-dipentylpyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 2,5-dipentylpyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 2,5-dipentylpyrazolo[4,3-c]quinolin-3-one is CCCCCn1nc2c3ccccc3n(CCCCC)cc-2c1=O.
What is the InChIKey of 2,5-dipentylpyrazolo[4,3-c]quinolin-3-one?
The InChIKey is AWECDMXIYDDBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-3-5-9-13-22-15-17-19(16-11-7-8-12-18(16)22)21-23(20(17)24)14-10-6-4-2/h7-8,11-12,15H,3-6,9-10,13-14H2,1-2H3.
What are the key properties of 2,5-dipentylpyrazolo[4,3-c]quinolin-3-one?
2,5-dipentylpyrazolo[4,3-c]quinolin-3-one has a molecular weight of 325.46 g/mol, XLogP of 4.68, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dipentylpyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 118577959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).