9-(4-fluorophenyl)-6,7,8a,9-tetrahydro-5H-pyrazolo[5,1-b]quinazolin-8-one

C16H14FN3O — CID 91078594

IUPAC9-(4-fluorophenyl)-6,7,8a,9-tetrahydro-5H-pyrazolo[5,1-b]quinazolin-8-one
SMILESO=C1CCCC2=Nc3ccnn3C(c3ccc(F)cc3)C12
InChIInChI=1S/C16H14FN3O/c17-11-6-4-10(5-7-11)16-15-12(2-1-3-13(15)21)19-14-8-9-18-20(14)16/h4-9,15-16H,1-3H2
InChIKeyQECPSROIXCQWRS-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.07
Rot. Bonds1

About 9-(4-fluorophenyl)-6,7,8a,9-tetrahydro-5H-pyrazolo[5,1-b]quinazolin-8-one

9-(4-fluorophenyl)-6,7,8a,9-tetrahydro-5H-pyrazolo[5,1-b]quinazolin-8-one (PubChem CID 91078594) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 9-(4-fluorophenyl)-6,7,8a,9-tetrahydro-5H-pyrazolo[5,1-b]quinazolin-8-one.

Molecular Properties

Compound Name9-(4-fluorophenyl)-6,7,8a,9-tetrahydro-5H-pyrazolo[5,1-b]quinazolin-8-one
PubChem CID91078594
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name9-(4-fluorophenyl)-6,7,8a,9-tetrahydro-5H-pyrazolo[5,1-b]quinazolin-8-one
SMILESO=C1CCCC2=Nc3ccnn3C(c3ccc(F)cc3)C12
InChIInChI=1S/C16H14FN3O/c17-11-6-4-10(5-7-11)16-15-12(2-1-3-13(15)21)19-14-8-9-18-20(14)16/h4-9,15-16H,1-3H2
InChIKeyQECPSROIXCQWRS-UHFFFAOYSA-N
XLogP3.07
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-(4-fluorophenyl)-6,7,8a,9-tetrahydro-5H-pyrazolo[5,1-b]quinazolin-8-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 9-(4-fluorophenyl)-6,7,8a,9-tetrahydro-5H-pyrazolo[5,1-b]quinazolin-8-one?
The IUPAC name of 9-(4-fluorophenyl)-6,7,8a,9-tetrahydro-5H-pyrazolo[5,1-b]quinazolin-8-one (CID 91078594) is 9-(4-fluorophenyl)-6,7,8a,9-tetrahydro-5H-pyrazolo[5,1-b]quinazolin-8-one.
What is the SMILES notation for 9-(4-fluorophenyl)-6,7,8a,9-tetrahydro-5H-pyrazolo[5,1-b]quinazolin-8-one?
The canonical SMILES for 9-(4-fluorophenyl)-6,7,8a,9-tetrahydro-5H-pyrazolo[5,1-b]quinazolin-8-one is O=C1CCCC2=Nc3ccnn3C(c3ccc(F)cc3)C12.
What is the InChIKey of 9-(4-fluorophenyl)-6,7,8a,9-tetrahydro-5H-pyrazolo[5,1-b]quinazolin-8-one?
The InChIKey is QECPSROIXCQWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c17-11-6-4-10(5-7-11)16-15-12(2-1-3-13(15)21)19-14-8-9-18-20(14)16/h4-9,15-16H,1-3H2.
What are the key properties of 9-(4-fluorophenyl)-6,7,8a,9-tetrahydro-5H-pyrazolo[5,1-b]quinazolin-8-one?
9-(4-fluorophenyl)-6,7,8a,9-tetrahydro-5H-pyrazolo[5,1-b]quinazolin-8-one has a molecular weight of 283.31 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-fluorophenyl)-6,7,8a,9-tetrahydro-5H-pyrazolo[5,1-b]quinazolin-8-one is sourced from PubChem (CID 91078594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).