6-(3,5-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one

C16H11F2N3O — CID 66503809

IUPAC6-(3,5-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
SMILESO=C1CC(c2cc(F)cc(F)c2)Cc2nc3ccnn3cc21
InChIInChI=1S/C16H11F2N3O/c17-11-3-9(4-12(18)7-11)10-5-14-13(15(22)6-10)8-21-16(20-14)1-2-19-21/h1-4,7-8,10H,5-6H2
InChIKeyUWBIUTFHIGZXDW-UHFFFAOYSA-N
MW299.28 g/mol
LogP2.92
Rot. Bonds1

About 6-(3,5-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one

6-(3,5-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one (PubChem CID 66503809) has the molecular formula C16H11F2N3O and a molecular weight of 299.28 g/mol. Its IUPAC name is 6-(3,5-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one.

Molecular Properties

Compound Name6-(3,5-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
PubChem CID66503809
Molecular FormulaC16H11F2N3O
Molecular Weight299.28 g/mol
Exact Mass299.09
IUPAC Name6-(3,5-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
SMILESO=C1CC(c2cc(F)cc(F)c2)Cc2nc3ccnn3cc21
InChIInChI=1S/C16H11F2N3O/c17-11-3-9(4-12(18)7-11)10-5-14-13(15(22)6-10)8-21-16(20-14)1-2-19-21/h1-4,7-8,10H,5-6H2
InChIKeyUWBIUTFHIGZXDW-UHFFFAOYSA-N
XLogP2.92
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(3,5-difluorophenyl)-6,7-dihydro-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

Related Compounds

6-(3,5-difluorophenyl)-3-(4-methoxyphenyl)-2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
CID 66503874
6-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 16652597
(6S)-6-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 29108853
(7R)-7-(3,5-difluorophenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 28629706
(7S)-7-(3,5-difluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one
CID 28629708
6-(4-chlorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
CID 66503579
6-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
CID 66503569
(6R)-6-(3-methylphenyl)-2-(trifluoromethyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 29156705
(6S)-6-phenyl-2-propyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 25421002
(7S)-7-(3,5-difluorophenyl)-2-(3-morpholin-4-ylpropylamino)-7,8-dihydro-6H-quinazolin-5-one
CID 29044438
(6S)-6-(4-methylphenyl)-2-methylsulfanyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 25421022
(6R)-6-(4-methoxyphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 29108905

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one?
The IUPAC name of 6-(3,5-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one (CID 66503809) is 6-(3,5-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one.
What is the SMILES notation for 6-(3,5-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one?
The canonical SMILES for 6-(3,5-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one is O=C1CC(c2cc(F)cc(F)c2)Cc2nc3ccnn3cc21.
What is the InChIKey of 6-(3,5-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one?
The InChIKey is UWBIUTFHIGZXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3O/c17-11-3-9(4-12(18)7-11)10-5-14-13(15(22)6-10)8-21-16(20-14)1-2-19-21/h1-4,7-8,10H,5-6H2.
What are the key properties of 6-(3,5-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one?
6-(3,5-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one has a molecular weight of 299.28 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one is sourced from PubChem (CID 66503809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).