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

C16H14FN3O — CID 135418171

IUPAC9-(4-fluorophenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one
SMILESO=C1CCCC2=C1C(c1ccc(F)cc1)n1nccc1N2
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/h4-9,16,19H,1-3H2
InChIKeyVRBQBORPHIQLCB-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.04
Rot. Bonds1

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

9-(4-fluorophenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one (PubChem CID 135418171) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 9-(4-fluorophenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one.

Molecular Properties

Compound Name9-(4-fluorophenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one
PubChem CID135418171
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name9-(4-fluorophenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one
SMILESO=C1CCCC2=C1C(c1ccc(F)cc1)n1nccc1N2
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/h4-9,16,19H,1-3H2
InChIKeyVRBQBORPHIQLCB-UHFFFAOYSA-N
XLogP3.04
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(4-fluorophenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one?
The IUPAC name of 9-(4-fluorophenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one (CID 135418171) is 9-(4-fluorophenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one.
What is the SMILES notation for 9-(4-fluorophenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one?
The canonical SMILES for 9-(4-fluorophenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one is O=C1CCCC2=C1C(c1ccc(F)cc1)n1nccc1N2.
What is the InChIKey of 9-(4-fluorophenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one?
The InChIKey is VRBQBORPHIQLCB-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/h4-9,16,19H,1-3H2.
What are the key properties of 9-(4-fluorophenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one?
9-(4-fluorophenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one has a molecular weight of 283.31 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-fluorophenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one is sourced from PubChem (CID 135418171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).