2-(4-bromophenyl)-6,8-difluoro-1H-pyrazolo[4,3-c]quinolin-3-one

C16H8BrF2N3O — CID 10248919

IUPAC2-(4-bromophenyl)-6,8-difluoro-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESO=c1c2cnc3c(F)cc(F)cc3c2[nH]n1-c1ccc(Br)cc1
InChIInChI=1S/C16H8BrF2N3O/c17-8-1-3-10(4-2-8)22-16(23)12-7-20-15-11(14(12)21-22)5-9(18)6-13(15)19/h1-7,21H
InChIKeyBYNUCXLDNJKWQA-UHFFFAOYSA-N
MW376.16 g/mol
LogP3.91
Rot. Bonds1

About 2-(4-bromophenyl)-6,8-difluoro-1H-pyrazolo[4,3-c]quinolin-3-one

2-(4-bromophenyl)-6,8-difluoro-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 10248919) has the molecular formula C16H8BrF2N3O and a molecular weight of 376.16 g/mol. Its IUPAC name is 2-(4-bromophenyl)-6,8-difluoro-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-6,8-difluoro-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID10248919
Molecular FormulaC16H8BrF2N3O
Molecular Weight376.16 g/mol
Exact Mass374.98
IUPAC Name2-(4-bromophenyl)-6,8-difluoro-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESO=c1c2cnc3c(F)cc(F)cc3c2[nH]n1-c1ccc(Br)cc1
InChIInChI=1S/C16H8BrF2N3O/c17-8-1-3-10(4-2-8)22-16(23)12-7-20-15-11(14(12)21-22)5-9(18)6-13(15)19/h1-7,21H
InChIKeyBYNUCXLDNJKWQA-UHFFFAOYSA-N
XLogP3.91
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.16
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-6,8-difluoro-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 2-(4-bromophenyl)-6,8-difluoro-1H-pyrazolo[4,3-c]quinolin-3-one (CID 10248919) is 2-(4-bromophenyl)-6,8-difluoro-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 2-(4-bromophenyl)-6,8-difluoro-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 2-(4-bromophenyl)-6,8-difluoro-1H-pyrazolo[4,3-c]quinolin-3-one is O=c1c2cnc3c(F)cc(F)cc3c2[nH]n1-c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-6,8-difluoro-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is BYNUCXLDNJKWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8BrF2N3O/c17-8-1-3-10(4-2-8)22-16(23)12-7-20-15-11(14(12)21-22)5-9(18)6-13(15)19/h1-7,21H.
What are the key properties of 2-(4-bromophenyl)-6,8-difluoro-1H-pyrazolo[4,3-c]quinolin-3-one?
2-(4-bromophenyl)-6,8-difluoro-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 376.16 g/mol, XLogP of 3.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-6,8-difluoro-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 10248919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).