1-methyl-3-(2-morpholin-4-ylethyl)-4H-pyrazolo[5,4-c]isoquinolin-5-one

C17H20N4O2 — CID 135524528

IUPAC1-methyl-3-(2-morpholin-4-ylethyl)-4H-pyrazolo[5,4-c]isoquinolin-5-one
SMILESCc1nn(CCN2CCOCC2)c2[nH]c(=O)c3ccccc3c12
InChIInChI=1S/C17H20N4O2/c1-12-15-13-4-2-3-5-14(13)17(22)18-16(15)21(19-12)7-6-20-8-10-23-11-9-20/h2-5H,6-11H2,1H3,(H,18,22)
InChIKeyMAXRLUZOTMKOIK-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.52
Rot. Bonds3

About 1-methyl-3-(2-morpholin-4-ylethyl)-4H-pyrazolo[5,4-c]isoquinolin-5-one

1-methyl-3-(2-morpholin-4-ylethyl)-4H-pyrazolo[5,4-c]isoquinolin-5-one (PubChem CID 135524528) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-methyl-3-(2-morpholin-4-ylethyl)-4H-pyrazolo[5,4-c]isoquinolin-5-one.

Molecular Properties

Compound Name1-methyl-3-(2-morpholin-4-ylethyl)-4H-pyrazolo[5,4-c]isoquinolin-5-one
PubChem CID135524528
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name1-methyl-3-(2-morpholin-4-ylethyl)-4H-pyrazolo[5,4-c]isoquinolin-5-one
SMILESCc1nn(CCN2CCOCC2)c2[nH]c(=O)c3ccccc3c12
InChIInChI=1S/C17H20N4O2/c1-12-15-13-4-2-3-5-14(13)17(22)18-16(15)21(19-12)7-6-20-8-10-23-11-9-20/h2-5H,6-11H2,1H3,(H,18,22)
InChIKeyMAXRLUZOTMKOIK-UHFFFAOYSA-N
XLogP1.52
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-morpholin-4-ylethyl)-4H-pyrazolo[5,4-c]isoquinolin-5-one?
The IUPAC name of 1-methyl-3-(2-morpholin-4-ylethyl)-4H-pyrazolo[5,4-c]isoquinolin-5-one (CID 135524528) is 1-methyl-3-(2-morpholin-4-ylethyl)-4H-pyrazolo[5,4-c]isoquinolin-5-one.
What is the SMILES notation for 1-methyl-3-(2-morpholin-4-ylethyl)-4H-pyrazolo[5,4-c]isoquinolin-5-one?
The canonical SMILES for 1-methyl-3-(2-morpholin-4-ylethyl)-4H-pyrazolo[5,4-c]isoquinolin-5-one is Cc1nn(CCN2CCOCC2)c2[nH]c(=O)c3ccccc3c12.
What is the InChIKey of 1-methyl-3-(2-morpholin-4-ylethyl)-4H-pyrazolo[5,4-c]isoquinolin-5-one?
The InChIKey is MAXRLUZOTMKOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-12-15-13-4-2-3-5-14(13)17(22)18-16(15)21(19-12)7-6-20-8-10-23-11-9-20/h2-5H,6-11H2,1H3,(H,18,22).
What are the key properties of 1-methyl-3-(2-morpholin-4-ylethyl)-4H-pyrazolo[5,4-c]isoquinolin-5-one?
1-methyl-3-(2-morpholin-4-ylethyl)-4H-pyrazolo[5,4-c]isoquinolin-5-one has a molecular weight of 312.37 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-morpholin-4-ylethyl)-4H-pyrazolo[5,4-c]isoquinolin-5-one is sourced from PubChem (CID 135524528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).