5-bromo-1-methyl-4H-pyrazolo[4,5-b]quinolin-9-one

C11H8BrN3O — CID 12985703

IUPAC5-bromo-1-methyl-4H-pyrazolo[4,5-b]quinolin-9-one
SMILESCn1ncc2[nH]c3c(Br)cccc3c(=O)c21
InChIInChI=1S/C11H8BrN3O/c1-15-10-8(5-13-15)14-9-6(11(10)16)3-2-4-7(9)12/h2-5H,1H3,(H,14,16)
InChIKeyBWJWQXBUVCSWNK-UHFFFAOYSA-N
MW278.11 g/mol
LogP2.18
Rot. Bonds

About 5-bromo-1-methyl-4H-pyrazolo[4,5-b]quinolin-9-one

5-bromo-1-methyl-4H-pyrazolo[4,5-b]quinolin-9-one (PubChem CID 12985703) has the molecular formula C11H8BrN3O and a molecular weight of 278.11 g/mol. Its IUPAC name is 5-bromo-1-methyl-4H-pyrazolo[4,5-b]quinolin-9-one.

Molecular Properties

Compound Name5-bromo-1-methyl-4H-pyrazolo[4,5-b]quinolin-9-one
PubChem CID12985703
Molecular FormulaC11H8BrN3O
Molecular Weight278.11 g/mol
Exact Mass276.99
IUPAC Name5-bromo-1-methyl-4H-pyrazolo[4,5-b]quinolin-9-one
SMILESCn1ncc2[nH]c3c(Br)cccc3c(=O)c21
InChIInChI=1S/C11H8BrN3O/c1-15-10-8(5-13-15)14-9-6(11(10)16)3-2-4-7(9)12/h2-5H,1H3,(H,14,16)
InChIKeyBWJWQXBUVCSWNK-UHFFFAOYSA-N
XLogP2.18
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.11
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-4H-pyrazolo[4,5-b]quinolin-9-one?
The IUPAC name of 5-bromo-1-methyl-4H-pyrazolo[4,5-b]quinolin-9-one (CID 12985703) is 5-bromo-1-methyl-4H-pyrazolo[4,5-b]quinolin-9-one.
What is the SMILES notation for 5-bromo-1-methyl-4H-pyrazolo[4,5-b]quinolin-9-one?
The canonical SMILES for 5-bromo-1-methyl-4H-pyrazolo[4,5-b]quinolin-9-one is Cn1ncc2[nH]c3c(Br)cccc3c(=O)c21.
What is the InChIKey of 5-bromo-1-methyl-4H-pyrazolo[4,5-b]quinolin-9-one?
The InChIKey is BWJWQXBUVCSWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3O/c1-15-10-8(5-13-15)14-9-6(11(10)16)3-2-4-7(9)12/h2-5H,1H3,(H,14,16).
What are the key properties of 5-bromo-1-methyl-4H-pyrazolo[4,5-b]quinolin-9-one?
5-bromo-1-methyl-4H-pyrazolo[4,5-b]quinolin-9-one has a molecular weight of 278.11 g/mol, XLogP of 2.18, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyl-4H-pyrazolo[4,5-b]quinolin-9-one is sourced from PubChem (CID 12985703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).