7-bromo-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one

C17H12BrN3O — CID 134508231

IUPAC7-bromo-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCc1ccc(-n2[nH]c3c(cnc4cc(Br)ccc43)c2=O)cc1
InChIInChI=1S/C17H12BrN3O/c1-10-2-5-12(6-3-10)21-17(22)14-9-19-15-8-11(18)4-7-13(15)16(14)20-21/h2-9,20H,1H3
InChIKeyQXAYEBPRDPENCG-UHFFFAOYSA-N
MW354.21 g/mol
LogP3.94
Rot. Bonds1

About 7-bromo-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one

7-bromo-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 134508231) has the molecular formula C17H12BrN3O and a molecular weight of 354.21 g/mol. Its IUPAC name is 7-bromo-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name7-bromo-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID134508231
Molecular FormulaC17H12BrN3O
Molecular Weight354.21 g/mol
Exact Mass353.02
IUPAC Name7-bromo-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCc1ccc(-n2[nH]c3c(cnc4cc(Br)ccc43)c2=O)cc1
InChIInChI=1S/C17H12BrN3O/c1-10-2-5-12(6-3-10)21-17(22)14-9-19-15-8-11(18)4-7-13(15)16(14)20-21/h2-9,20H,1H3
InChIKeyQXAYEBPRDPENCG-UHFFFAOYSA-N
XLogP3.94
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.21
LogP ≤ 53.94
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 7-bromo-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 7-bromo-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one (CID 134508231) is 7-bromo-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 7-bromo-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 7-bromo-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one is Cc1ccc(-n2[nH]c3c(cnc4cc(Br)ccc43)c2=O)cc1.
What is the InChIKey of 7-bromo-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is QXAYEBPRDPENCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN3O/c1-10-2-5-12(6-3-10)21-17(22)14-9-19-15-8-11(18)4-7-13(15)16(14)20-21/h2-9,20H,1H3.
What are the key properties of 7-bromo-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
7-bromo-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 354.21 g/mol, XLogP of 3.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 134508231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).