5-ethyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one

C13H13N3O — CID 708346

IUPAC5-ethyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one
SMILESCCn1c(=O)c2c(C)[nH]nc2c2ccccc21
InChIInChI=1S/C13H13N3O/c1-3-16-10-7-5-4-6-9(10)12-11(13(16)17)8(2)14-15-12/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyASEHARDUZDZEKS-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.21
Rot. Bonds1

About 5-ethyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one

5-ethyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 708346) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 5-ethyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name5-ethyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one
PubChem CID708346
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name5-ethyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one
SMILESCCn1c(=O)c2c(C)[nH]nc2c2ccccc21
InChIInChI=1S/C13H13N3O/c1-3-16-10-7-5-4-6-9(10)12-11(13(16)17)8(2)14-15-12/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyASEHARDUZDZEKS-UHFFFAOYSA-N
XLogP2.21
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 5-ethyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one (CID 708346) is 5-ethyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 5-ethyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 5-ethyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one is CCn1c(=O)c2c(C)[nH]nc2c2ccccc21.
What is the InChIKey of 5-ethyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is ASEHARDUZDZEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-3-16-10-7-5-4-6-9(10)12-11(13(16)17)8(2)14-15-12/h4-7H,3H2,1-2H3,(H,14,15).
What are the key properties of 5-ethyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one?
5-ethyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 227.27 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 708346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).