7-bromo-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one

C16H11BrN4O — CID 134508192

IUPAC7-bromo-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCc1ccc(-n2[nH]c3c(cnc4cc(Br)ccc43)c2=O)cn1
InChIInChI=1S/C16H11BrN4O/c1-9-2-4-11(7-18-9)21-16(22)13-8-19-14-6-10(17)3-5-12(14)15(13)20-21/h2-8,20H,1H3
InChIKeyGTMPEKIAUBFBHT-UHFFFAOYSA-N
MW355.20 g/mol
LogP3.33
Rot. Bonds1

About 7-bromo-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one

7-bromo-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 134508192) has the molecular formula C16H11BrN4O and a molecular weight of 355.20 g/mol. Its IUPAC name is 7-bromo-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name7-bromo-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID134508192
Molecular FormulaC16H11BrN4O
Molecular Weight355.20 g/mol
Exact Mass354.01
IUPAC Name7-bromo-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCc1ccc(-n2[nH]c3c(cnc4cc(Br)ccc43)c2=O)cn1
InChIInChI=1S/C16H11BrN4O/c1-9-2-4-11(7-18-9)21-16(22)13-8-19-14-6-10(17)3-5-12(14)15(13)20-21/h2-8,20H,1H3
InChIKeyGTMPEKIAUBFBHT-UHFFFAOYSA-N
XLogP3.33
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.20
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 7-bromo-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one (CID 134508192) is 7-bromo-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 7-bromo-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 7-bromo-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one is Cc1ccc(-n2[nH]c3c(cnc4cc(Br)ccc43)c2=O)cn1.
What is the InChIKey of 7-bromo-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is GTMPEKIAUBFBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN4O/c1-9-2-4-11(7-18-9)21-16(22)13-8-19-14-6-10(17)3-5-12(14)15(13)20-21/h2-8,20H,1H3.
What are the key properties of 7-bromo-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
7-bromo-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 355.20 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 134508192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).