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

C16H13Cl2N3O — CID 135494158

IUPAC9-(3,4-dichlorophenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one
SMILESO=C1CCCC2=C1C(c1ccc(Cl)c(Cl)c1)n1nccc1N2
InChIInChI=1S/C16H13Cl2N3O/c17-10-5-4-9(8-11(10)18)16-15-12(2-1-3-13(15)22)20-14-6-7-19-21(14)16/h4-8,16,20H,1-3H2
InChIKeyDOCNHHQSARSKRL-UHFFFAOYSA-N
MW334.21 g/mol
LogP4.21
Rot. Bonds1

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

9-(3,4-dichlorophenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one (PubChem CID 135494158) has the molecular formula C16H13Cl2N3O and a molecular weight of 334.21 g/mol. Its IUPAC name is 9-(3,4-dichlorophenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one.

Molecular Properties

Compound Name9-(3,4-dichlorophenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one
PubChem CID135494158
Molecular FormulaC16H13Cl2N3O
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name9-(3,4-dichlorophenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one
SMILESO=C1CCCC2=C1C(c1ccc(Cl)c(Cl)c1)n1nccc1N2
InChIInChI=1S/C16H13Cl2N3O/c17-10-5-4-9(8-11(10)18)16-15-12(2-1-3-13(15)22)20-14-6-7-19-21(14)16/h4-8,16,20H,1-3H2
InChIKeyDOCNHHQSARSKRL-UHFFFAOYSA-N
XLogP4.21
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(3,4-dichlorophenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one?
The IUPAC name of 9-(3,4-dichlorophenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one (CID 135494158) is 9-(3,4-dichlorophenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one.
What is the SMILES notation for 9-(3,4-dichlorophenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one?
The canonical SMILES for 9-(3,4-dichlorophenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one is O=C1CCCC2=C1C(c1ccc(Cl)c(Cl)c1)n1nccc1N2.
What is the InChIKey of 9-(3,4-dichlorophenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one?
The InChIKey is DOCNHHQSARSKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O/c17-10-5-4-9(8-11(10)18)16-15-12(2-1-3-13(15)22)20-14-6-7-19-21(14)16/h4-8,16,20H,1-3H2.
What are the key properties of 9-(3,4-dichlorophenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one?
9-(3,4-dichlorophenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one has a molecular weight of 334.21 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,4-dichlorophenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one is sourced from PubChem (CID 135494158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).