4-[2-(diethylamino)ethyl]-1,3-dimethylpyrazolo[5,4-c]isoquinolin-5-one

C18H24N4O — CID 23332746

IUPAC4-[2-(diethylamino)ethyl]-1,3-dimethylpyrazolo[5,4-c]isoquinolin-5-one
SMILESCCN(CC)CCn1c(=O)c2ccccc2c2c(C)nn(C)c21
InChIInChI=1S/C18H24N4O/c1-5-21(6-2)11-12-22-17-16(13(3)19-20(17)4)14-9-7-8-10-15(14)18(22)23/h7-10H,5-6,11-12H2,1-4H3
InChIKeyHVXSQTAXVSPBDA-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.54
Rot. Bonds5

About 4-[2-(diethylamino)ethyl]-1,3-dimethylpyrazolo[5,4-c]isoquinolin-5-one

4-[2-(diethylamino)ethyl]-1,3-dimethylpyrazolo[5,4-c]isoquinolin-5-one (PubChem CID 23332746) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 4-[2-(diethylamino)ethyl]-1,3-dimethylpyrazolo[5,4-c]isoquinolin-5-one.

Molecular Properties

Compound Name4-[2-(diethylamino)ethyl]-1,3-dimethylpyrazolo[5,4-c]isoquinolin-5-one
PubChem CID23332746
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name4-[2-(diethylamino)ethyl]-1,3-dimethylpyrazolo[5,4-c]isoquinolin-5-one
SMILESCCN(CC)CCn1c(=O)c2ccccc2c2c(C)nn(C)c21
InChIInChI=1S/C18H24N4O/c1-5-21(6-2)11-12-22-17-16(13(3)19-20(17)4)14-9-7-8-10-15(14)18(22)23/h7-10H,5-6,11-12H2,1-4H3
InChIKeyHVXSQTAXVSPBDA-UHFFFAOYSA-N
XLogP2.54
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(diethylamino)ethyl]-1,3-dimethylpyrazolo[5,4-c]isoquinolin-5-one?
The IUPAC name of 4-[2-(diethylamino)ethyl]-1,3-dimethylpyrazolo[5,4-c]isoquinolin-5-one (CID 23332746) is 4-[2-(diethylamino)ethyl]-1,3-dimethylpyrazolo[5,4-c]isoquinolin-5-one.
What is the SMILES notation for 4-[2-(diethylamino)ethyl]-1,3-dimethylpyrazolo[5,4-c]isoquinolin-5-one?
The canonical SMILES for 4-[2-(diethylamino)ethyl]-1,3-dimethylpyrazolo[5,4-c]isoquinolin-5-one is CCN(CC)CCn1c(=O)c2ccccc2c2c(C)nn(C)c21.
What is the InChIKey of 4-[2-(diethylamino)ethyl]-1,3-dimethylpyrazolo[5,4-c]isoquinolin-5-one?
The InChIKey is HVXSQTAXVSPBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-5-21(6-2)11-12-22-17-16(13(3)19-20(17)4)14-9-7-8-10-15(14)18(22)23/h7-10H,5-6,11-12H2,1-4H3.
What are the key properties of 4-[2-(diethylamino)ethyl]-1,3-dimethylpyrazolo[5,4-c]isoquinolin-5-one?
4-[2-(diethylamino)ethyl]-1,3-dimethylpyrazolo[5,4-c]isoquinolin-5-one has a molecular weight of 312.42 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylamino)ethyl]-1,3-dimethylpyrazolo[5,4-c]isoquinolin-5-one is sourced from PubChem (CID 23332746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).