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

C16H10BrN3O — CID 13093669

IUPAC2-(4-bromophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESO=c1c2cnc3ccccc3c2[nH]n1-c1ccc(Br)cc1
InChIInChI=1S/C16H10BrN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h1-9,19H
InChIKeyFQNCWOLJVICWIR-UHFFFAOYSA-N
MW340.18 g/mol
LogP3.63
Rot. Bonds1

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

2-(4-bromophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 13093669) has the molecular formula C16H10BrN3O and a molecular weight of 340.18 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID13093669
Molecular FormulaC16H10BrN3O
Molecular Weight340.18 g/mol
Exact Mass339.00
IUPAC Name2-(4-bromophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESO=c1c2cnc3ccccc3c2[nH]n1-c1ccc(Br)cc1
InChIInChI=1S/C16H10BrN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h1-9,19H
InChIKeyFQNCWOLJVICWIR-UHFFFAOYSA-N
XLogP3.63
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 53.63
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)-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 2-(4-bromophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one (CID 13093669) is 2-(4-bromophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 2-(4-bromophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 2-(4-bromophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one is O=c1c2cnc3ccccc3c2[nH]n1-c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is FQNCWOLJVICWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h1-9,19H.
What are the key properties of 2-(4-bromophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
2-(4-bromophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 340.18 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 13093669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).