8-bromo-1-cyclobutyl-7-ethyl-5H-pyrazolo[4,5-c]quinolin-4-one

C16H16BrN3O — CID 136619019

IUPAC8-bromo-1-cyclobutyl-7-ethyl-5H-pyrazolo[4,5-c]quinolin-4-one
SMILESCCc1cc2[nH]c(=O)c3cnn(C4CCC4)c3c2cc1Br
InChIInChI=1S/C16H16BrN3O/c1-2-9-6-14-11(7-13(9)17)15-12(16(21)19-14)8-18-20(15)10-4-3-5-10/h6-8,10H,2-5H2,1H3,(H,19,21)
InChIKeyGQRLMTKTDBYDHM-UHFFFAOYSA-N
MW346.23 g/mol
LogP3.93
Rot. Bonds2

About 8-bromo-1-cyclobutyl-7-ethyl-5H-pyrazolo[4,5-c]quinolin-4-one

8-bromo-1-cyclobutyl-7-ethyl-5H-pyrazolo[4,5-c]quinolin-4-one (PubChem CID 136619019) has the molecular formula C16H16BrN3O and a molecular weight of 346.23 g/mol. Its IUPAC name is 8-bromo-1-cyclobutyl-7-ethyl-5H-pyrazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name8-bromo-1-cyclobutyl-7-ethyl-5H-pyrazolo[4,5-c]quinolin-4-one
PubChem CID136619019
Molecular FormulaC16H16BrN3O
Molecular Weight346.23 g/mol
Exact Mass345.05
IUPAC Name8-bromo-1-cyclobutyl-7-ethyl-5H-pyrazolo[4,5-c]quinolin-4-one
SMILESCCc1cc2[nH]c(=O)c3cnn(C4CCC4)c3c2cc1Br
InChIInChI=1S/C16H16BrN3O/c1-2-9-6-14-11(7-13(9)17)15-12(16(21)19-14)8-18-20(15)10-4-3-5-10/h6-8,10H,2-5H2,1H3,(H,19,21)
InChIKeyGQRLMTKTDBYDHM-UHFFFAOYSA-N
XLogP3.93
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-1-cyclobutyl-7-ethyl-5H-pyrazolo[4,5-c]quinolin-4-one?
The IUPAC name of 8-bromo-1-cyclobutyl-7-ethyl-5H-pyrazolo[4,5-c]quinolin-4-one (CID 136619019) is 8-bromo-1-cyclobutyl-7-ethyl-5H-pyrazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 8-bromo-1-cyclobutyl-7-ethyl-5H-pyrazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 8-bromo-1-cyclobutyl-7-ethyl-5H-pyrazolo[4,5-c]quinolin-4-one is CCc1cc2[nH]c(=O)c3cnn(C4CCC4)c3c2cc1Br.
What is the InChIKey of 8-bromo-1-cyclobutyl-7-ethyl-5H-pyrazolo[4,5-c]quinolin-4-one?
The InChIKey is GQRLMTKTDBYDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O/c1-2-9-6-14-11(7-13(9)17)15-12(16(21)19-14)8-18-20(15)10-4-3-5-10/h6-8,10H,2-5H2,1H3,(H,19,21).
What are the key properties of 8-bromo-1-cyclobutyl-7-ethyl-5H-pyrazolo[4,5-c]quinolin-4-one?
8-bromo-1-cyclobutyl-7-ethyl-5H-pyrazolo[4,5-c]quinolin-4-one has a molecular weight of 346.23 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1-cyclobutyl-7-ethyl-5H-pyrazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 136619019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).