9-bromo-1-(oxan-4-yl)-3H-pyrazolo[1,5-c]quinazolin-2-one

C15H14BrN3O2 — CID 155483667

IUPAC9-bromo-1-(oxan-4-yl)-3H-pyrazolo[1,5-c]quinazolin-2-one
SMILESO=c1[nH]n2cnc3ccc(Br)cc3c2c1C1CCOCC1
InChIInChI=1S/C15H14BrN3O2/c16-10-1-2-12-11(7-10)14-13(9-3-5-21-6-4-9)15(20)18-19(14)8-17-12/h1-2,7-9H,3-6H2,(H,18,20)
InChIKeyYREPMONBIDBKBX-UHFFFAOYSA-N
MW348.20 g/mol
LogP2.83
Rot. Bonds1

About 9-bromo-1-(oxan-4-yl)-3H-pyrazolo[1,5-c]quinazolin-2-one

9-bromo-1-(oxan-4-yl)-3H-pyrazolo[1,5-c]quinazolin-2-one (PubChem CID 155483667) has the molecular formula C15H14BrN3O2 and a molecular weight of 348.20 g/mol. Its IUPAC name is 9-bromo-1-(oxan-4-yl)-3H-pyrazolo[1,5-c]quinazolin-2-one.

Molecular Properties

Compound Name9-bromo-1-(oxan-4-yl)-3H-pyrazolo[1,5-c]quinazolin-2-one
PubChem CID155483667
Molecular FormulaC15H14BrN3O2
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC Name9-bromo-1-(oxan-4-yl)-3H-pyrazolo[1,5-c]quinazolin-2-one
SMILESO=c1[nH]n2cnc3ccc(Br)cc3c2c1C1CCOCC1
InChIInChI=1S/C15H14BrN3O2/c16-10-1-2-12-11(7-10)14-13(9-3-5-21-6-4-9)15(20)18-19(14)8-17-12/h1-2,7-9H,3-6H2,(H,18,20)
InChIKeyYREPMONBIDBKBX-UHFFFAOYSA-N
XLogP2.83
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-bromo-1-(oxan-4-yl)-3H-pyrazolo[1,5-c]quinazolin-2-one?
The IUPAC name of 9-bromo-1-(oxan-4-yl)-3H-pyrazolo[1,5-c]quinazolin-2-one (CID 155483667) is 9-bromo-1-(oxan-4-yl)-3H-pyrazolo[1,5-c]quinazolin-2-one.
What is the SMILES notation for 9-bromo-1-(oxan-4-yl)-3H-pyrazolo[1,5-c]quinazolin-2-one?
The canonical SMILES for 9-bromo-1-(oxan-4-yl)-3H-pyrazolo[1,5-c]quinazolin-2-one is O=c1[nH]n2cnc3ccc(Br)cc3c2c1C1CCOCC1.
What is the InChIKey of 9-bromo-1-(oxan-4-yl)-3H-pyrazolo[1,5-c]quinazolin-2-one?
The InChIKey is YREPMONBIDBKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O2/c16-10-1-2-12-11(7-10)14-13(9-3-5-21-6-4-9)15(20)18-19(14)8-17-12/h1-2,7-9H,3-6H2,(H,18,20).
What are the key properties of 9-bromo-1-(oxan-4-yl)-3H-pyrazolo[1,5-c]quinazolin-2-one?
9-bromo-1-(oxan-4-yl)-3H-pyrazolo[1,5-c]quinazolin-2-one has a molecular weight of 348.20 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-1-(oxan-4-yl)-3H-pyrazolo[1,5-c]quinazolin-2-one is sourced from PubChem (CID 155483667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).