4-ethyl-1,7-dimethylpyrazolo[4,5-b]quinolin-9-one

C14H15N3O — CID 23442433

IUPAC4-ethyl-1,7-dimethylpyrazolo[4,5-b]quinolin-9-one
SMILESCCn1c2ccc(C)cc2c(=O)c2c1cnn2C
InChIInChI=1S/C14H15N3O/c1-4-17-11-6-5-9(2)7-10(11)14(18)13-12(17)8-15-16(13)3/h5-8H,4H2,1-3H3
InChIKeyVHBRDPRPAUTBOM-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.22
Rot. Bonds1

About 4-ethyl-1,7-dimethylpyrazolo[4,5-b]quinolin-9-one

4-ethyl-1,7-dimethylpyrazolo[4,5-b]quinolin-9-one (PubChem CID 23442433) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-ethyl-1,7-dimethylpyrazolo[4,5-b]quinolin-9-one.

Molecular Properties

Compound Name4-ethyl-1,7-dimethylpyrazolo[4,5-b]quinolin-9-one
PubChem CID23442433
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name4-ethyl-1,7-dimethylpyrazolo[4,5-b]quinolin-9-one
SMILESCCn1c2ccc(C)cc2c(=O)c2c1cnn2C
InChIInChI=1S/C14H15N3O/c1-4-17-11-6-5-9(2)7-10(11)14(18)13-12(17)8-15-16(13)3/h5-8H,4H2,1-3H3
InChIKeyVHBRDPRPAUTBOM-UHFFFAOYSA-N
XLogP2.22
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,7-dimethylpyrazolo[4,5-b]quinolin-9-one?
The IUPAC name of 4-ethyl-1,7-dimethylpyrazolo[4,5-b]quinolin-9-one (CID 23442433) is 4-ethyl-1,7-dimethylpyrazolo[4,5-b]quinolin-9-one.
What is the SMILES notation for 4-ethyl-1,7-dimethylpyrazolo[4,5-b]quinolin-9-one?
The canonical SMILES for 4-ethyl-1,7-dimethylpyrazolo[4,5-b]quinolin-9-one is CCn1c2ccc(C)cc2c(=O)c2c1cnn2C.
What is the InChIKey of 4-ethyl-1,7-dimethylpyrazolo[4,5-b]quinolin-9-one?
The InChIKey is VHBRDPRPAUTBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-4-17-11-6-5-9(2)7-10(11)14(18)13-12(17)8-15-16(13)3/h5-8H,4H2,1-3H3.
What are the key properties of 4-ethyl-1,7-dimethylpyrazolo[4,5-b]quinolin-9-one?
4-ethyl-1,7-dimethylpyrazolo[4,5-b]quinolin-9-one has a molecular weight of 241.29 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,7-dimethylpyrazolo[4,5-b]quinolin-9-one is sourced from PubChem (CID 23442433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).