5-ethyl-2-methylpyrazolo[3,4-c]quinolin-4-one

C13H13N3O — CID 1205622

IUPAC5-ethyl-2-methylpyrazolo[3,4-c]quinolin-4-one
SMILESCCn1c(=O)c2nn(C)cc2c2ccccc21
InChIInChI=1S/C13H13N3O/c1-3-16-11-7-5-4-6-9(11)10-8-15(2)14-12(10)13(16)17/h4-8H,3H2,1-2H3
InChIKeyHURAYAOUAUQEEG-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.91
Rot. Bonds1

About 5-ethyl-2-methylpyrazolo[3,4-c]quinolin-4-one

5-ethyl-2-methylpyrazolo[3,4-c]quinolin-4-one (PubChem CID 1205622) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 5-ethyl-2-methylpyrazolo[3,4-c]quinolin-4-one.

Molecular Properties

Compound Name5-ethyl-2-methylpyrazolo[3,4-c]quinolin-4-one
PubChem CID1205622
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name5-ethyl-2-methylpyrazolo[3,4-c]quinolin-4-one
SMILESCCn1c(=O)c2nn(C)cc2c2ccccc21
InChIInChI=1S/C13H13N3O/c1-3-16-11-7-5-4-6-9(11)10-8-15(2)14-12(10)13(16)17/h4-8H,3H2,1-2H3
InChIKeyHURAYAOUAUQEEG-UHFFFAOYSA-N
XLogP1.91
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methylpyrazolo[3,4-c]quinolin-4-one?
The IUPAC name of 5-ethyl-2-methylpyrazolo[3,4-c]quinolin-4-one (CID 1205622) is 5-ethyl-2-methylpyrazolo[3,4-c]quinolin-4-one.
What is the SMILES notation for 5-ethyl-2-methylpyrazolo[3,4-c]quinolin-4-one?
The canonical SMILES for 5-ethyl-2-methylpyrazolo[3,4-c]quinolin-4-one is CCn1c(=O)c2nn(C)cc2c2ccccc21.
What is the InChIKey of 5-ethyl-2-methylpyrazolo[3,4-c]quinolin-4-one?
The InChIKey is HURAYAOUAUQEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-3-16-11-7-5-4-6-9(11)10-8-15(2)14-12(10)13(16)17/h4-8H,3H2,1-2H3.
What are the key properties of 5-ethyl-2-methylpyrazolo[3,4-c]quinolin-4-one?
5-ethyl-2-methylpyrazolo[3,4-c]quinolin-4-one has a molecular weight of 227.27 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methylpyrazolo[3,4-c]quinolin-4-one is sourced from PubChem (CID 1205622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).