9-(3-chlorophenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one

C16H14ClN3O — CID 135546411

IUPAC9-(3-chlorophenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one
SMILESO=C1CCCC2=C1C(c1cccc(Cl)c1)n1nccc1N2
InChIInChI=1S/C16H14ClN3O/c17-11-4-1-3-10(9-11)16-15-12(5-2-6-13(15)21)19-14-7-8-18-20(14)16/h1,3-4,7-9,16,19H,2,5-6H2
InChIKeyIOVFHJYWVKBBOY-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.56
Rot. Bonds1

About 9-(3-chlorophenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one

9-(3-chlorophenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one (PubChem CID 135546411) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 9-(3-chlorophenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one.

Molecular Properties

Compound Name9-(3-chlorophenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one
PubChem CID135546411
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name9-(3-chlorophenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one
SMILESO=C1CCCC2=C1C(c1cccc(Cl)c1)n1nccc1N2
InChIInChI=1S/C16H14ClN3O/c17-11-4-1-3-10(9-11)16-15-12(5-2-6-13(15)21)19-14-7-8-18-20(14)16/h1,3-4,7-9,16,19H,2,5-6H2
InChIKeyIOVFHJYWVKBBOY-UHFFFAOYSA-N
XLogP3.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(3-chlorophenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one?
The IUPAC name of 9-(3-chlorophenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one (CID 135546411) is 9-(3-chlorophenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one.
What is the SMILES notation for 9-(3-chlorophenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one?
The canonical SMILES for 9-(3-chlorophenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one is O=C1CCCC2=C1C(c1cccc(Cl)c1)n1nccc1N2.
What is the InChIKey of 9-(3-chlorophenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one?
The InChIKey is IOVFHJYWVKBBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c17-11-4-1-3-10(9-11)16-15-12(5-2-6-13(15)21)19-14-7-8-18-20(14)16/h1,3-4,7-9,16,19H,2,5-6H2.
What are the key properties of 9-(3-chlorophenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one?
9-(3-chlorophenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one has a molecular weight of 299.76 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-chlorophenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one is sourced from PubChem (CID 135546411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).