5,7-dichloro-2-phenyl-1H-pyrazolo[5,1-b]quinazolin-9-one

C16H9Cl2N3O — CID 131845918

IUPAC5,7-dichloro-2-phenyl-1H-pyrazolo[5,1-b]quinazolin-9-one
SMILESO=c1c2cc(Cl)cc(Cl)c2nc2cc(-c3ccccc3)[nH]n12
InChIInChI=1S/C16H9Cl2N3O/c17-10-6-11-15(12(18)7-10)19-14-8-13(20-21(14)16(11)22)9-4-2-1-3-5-9/h1-8,20H
InChIKeyXUNQZCKWQWEVMK-UHFFFAOYSA-N
MW330.17 g/mol
LogP4.15
Rot. Bonds1

About 5,7-dichloro-2-phenyl-1H-pyrazolo[5,1-b]quinazolin-9-one

5,7-dichloro-2-phenyl-1H-pyrazolo[5,1-b]quinazolin-9-one (PubChem CID 131845918) has the molecular formula C16H9Cl2N3O and a molecular weight of 330.17 g/mol. Its IUPAC name is 5,7-dichloro-2-phenyl-1H-pyrazolo[5,1-b]quinazolin-9-one.

Molecular Properties

Compound Name5,7-dichloro-2-phenyl-1H-pyrazolo[5,1-b]quinazolin-9-one
PubChem CID131845918
Molecular FormulaC16H9Cl2N3O
Molecular Weight330.17 g/mol
Exact Mass329.01
IUPAC Name5,7-dichloro-2-phenyl-1H-pyrazolo[5,1-b]quinazolin-9-one
SMILESO=c1c2cc(Cl)cc(Cl)c2nc2cc(-c3ccccc3)[nH]n12
InChIInChI=1S/C16H9Cl2N3O/c17-10-6-11-15(12(18)7-10)19-14-8-13(20-21(14)16(11)22)9-4-2-1-3-5-9/h1-8,20H
InChIKeyXUNQZCKWQWEVMK-UHFFFAOYSA-N
XLogP4.15
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.17
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,7-dichloro-2-methyl-1H-pyrazolo[5,1-b]quinazolin-9-one
CID 165354598
2,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 2818800
5-phenyl-2,6,7,12-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one;hydrochloride
CID 155823406
5-amino-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 13396558
3-methyl-7-phenyl-6H-pyrazolo[5,1-c][1,2,4]triazin-4-one
CID 20578627
2-(3-chlorophenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 784601
5-phenyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
CID 53184078
2-(4-chlorophenyl)-6-methoxy-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 146424002
5,11-diphenyl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione
CID 14867542
2-(4-chlorophenyl)-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 761950
6-(aminomethyl)-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115043650
7-phenyl-6H-pyrazolo[5,1-c][1,2,4]triazin-4-one
CID 102478161

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-2-phenyl-1H-pyrazolo[5,1-b]quinazolin-9-one?
The IUPAC name of 5,7-dichloro-2-phenyl-1H-pyrazolo[5,1-b]quinazolin-9-one (CID 131845918) is 5,7-dichloro-2-phenyl-1H-pyrazolo[5,1-b]quinazolin-9-one.
What is the SMILES notation for 5,7-dichloro-2-phenyl-1H-pyrazolo[5,1-b]quinazolin-9-one?
The canonical SMILES for 5,7-dichloro-2-phenyl-1H-pyrazolo[5,1-b]quinazolin-9-one is O=c1c2cc(Cl)cc(Cl)c2nc2cc(-c3ccccc3)[nH]n12.
What is the InChIKey of 5,7-dichloro-2-phenyl-1H-pyrazolo[5,1-b]quinazolin-9-one?
The InChIKey is XUNQZCKWQWEVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2N3O/c17-10-6-11-15(12(18)7-10)19-14-8-13(20-21(14)16(11)22)9-4-2-1-3-5-9/h1-8,20H.
What are the key properties of 5,7-dichloro-2-phenyl-1H-pyrazolo[5,1-b]quinazolin-9-one?
5,7-dichloro-2-phenyl-1H-pyrazolo[5,1-b]quinazolin-9-one has a molecular weight of 330.17 g/mol, XLogP of 4.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-2-phenyl-1H-pyrazolo[5,1-b]quinazolin-9-one is sourced from PubChem (CID 131845918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).