2-[1-(1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazin-4-yl)-1-oxopropan-2-yl]isoquinolin-1-one

C19H20N4O3 — CID 138057570

IUPAC2-[1-(1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazin-4-yl)-1-oxopropan-2-yl]isoquinolin-1-one
SMILESCc1nn(C)c2c1N(C(=O)C(C)n1ccc3ccccc3c1=O)CCO2
InChIInChI=1S/C19H20N4O3/c1-12-16-19(21(3)20-12)26-11-10-23(16)17(24)13(2)22-9-8-14-6-4-5-7-15(14)18(22)25/h4-9,13H,10-11H2,1-3H3
InChIKeyRUJKVRCWWPLXEM-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.03
Rot. Bonds2

About 2-[1-(1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazin-4-yl)-1-oxopropan-2-yl]isoquinolin-1-one

2-[1-(1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazin-4-yl)-1-oxopropan-2-yl]isoquinolin-1-one (PubChem CID 138057570) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-[1-(1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazin-4-yl)-1-oxopropan-2-yl]isoquinolin-1-one.

Molecular Properties

Compound Name2-[1-(1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazin-4-yl)-1-oxopropan-2-yl]isoquinolin-1-one
PubChem CID138057570
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name2-[1-(1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazin-4-yl)-1-oxopropan-2-yl]isoquinolin-1-one
SMILESCc1nn(C)c2c1N(C(=O)C(C)n1ccc3ccccc3c1=O)CCO2
InChIInChI=1S/C19H20N4O3/c1-12-16-19(21(3)20-12)26-11-10-23(16)17(24)13(2)22-9-8-14-6-4-5-7-15(14)18(22)25/h4-9,13H,10-11H2,1-3H3
InChIKeyRUJKVRCWWPLXEM-UHFFFAOYSA-N
XLogP2.03
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazin-4-yl)-1-oxopropan-2-yl]isoquinolin-1-one?
The IUPAC name of 2-[1-(1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazin-4-yl)-1-oxopropan-2-yl]isoquinolin-1-one (CID 138057570) is 2-[1-(1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazin-4-yl)-1-oxopropan-2-yl]isoquinolin-1-one.
What is the SMILES notation for 2-[1-(1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazin-4-yl)-1-oxopropan-2-yl]isoquinolin-1-one?
The canonical SMILES for 2-[1-(1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazin-4-yl)-1-oxopropan-2-yl]isoquinolin-1-one is Cc1nn(C)c2c1N(C(=O)C(C)n1ccc3ccccc3c1=O)CCO2.
What is the InChIKey of 2-[1-(1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazin-4-yl)-1-oxopropan-2-yl]isoquinolin-1-one?
The InChIKey is RUJKVRCWWPLXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-12-16-19(21(3)20-12)26-11-10-23(16)17(24)13(2)22-9-8-14-6-4-5-7-15(14)18(22)25/h4-9,13H,10-11H2,1-3H3.
What are the key properties of 2-[1-(1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazin-4-yl)-1-oxopropan-2-yl]isoquinolin-1-one?
2-[1-(1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazin-4-yl)-1-oxopropan-2-yl]isoquinolin-1-one has a molecular weight of 352.39 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazin-4-yl)-1-oxopropan-2-yl]isoquinolin-1-one is sourced from PubChem (CID 138057570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).