2-tert-butyl-3,6-dihydropyrazino[1,2-b]isoquinoline-1,4-dione

C16H18N2O2 — CID 122378962

IUPAC2-tert-butyl-3,6-dihydropyrazino[1,2-b]isoquinoline-1,4-dione
SMILESCC(C)(C)N1CC(=O)N2Cc3ccccc3C=C2C1=O
InChIInChI=1S/C16H18N2O2/c1-16(2,3)18-10-14(19)17-9-12-7-5-4-6-11(12)8-13(17)15(18)20/h4-8H,9-10H2,1-3H3
InChIKeyAMZAKKWHOHPCOF-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.01
Rot. Bonds

About 2-tert-butyl-3,6-dihydropyrazino[1,2-b]isoquinoline-1,4-dione

2-tert-butyl-3,6-dihydropyrazino[1,2-b]isoquinoline-1,4-dione (PubChem CID 122378962) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-tert-butyl-3,6-dihydropyrazino[1,2-b]isoquinoline-1,4-dione.

Molecular Properties

Compound Name2-tert-butyl-3,6-dihydropyrazino[1,2-b]isoquinoline-1,4-dione
PubChem CID122378962
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-tert-butyl-3,6-dihydropyrazino[1,2-b]isoquinoline-1,4-dione
SMILESCC(C)(C)N1CC(=O)N2Cc3ccccc3C=C2C1=O
InChIInChI=1S/C16H18N2O2/c1-16(2,3)18-10-14(19)17-9-12-7-5-4-6-11(12)8-13(17)15(18)20/h4-8H,9-10H2,1-3H3
InChIKeyAMZAKKWHOHPCOF-UHFFFAOYSA-N
XLogP2.01
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5H-isoindolo[2,3-b]isoquinolin-7-one
CID 11817150
2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3H-isoindol-1-one
CID 159104675
2-tert-butyl-3,4-dihydroisoquinolin-1-one
CID 23591920
1-tert-butyl-2H-quinolin-3-amine
CID 169302716
4-chloro-2-methyl-1,3-dihydro-2-benzazepine
CID 101083787
2-tert-butyl-6-fluoro-3H-isoindol-1-one
CID 165464085
5-amino-2-tert-butyl-3H-isoindol-1-one
CID 130019061
2-tert-butyl-5,6-dihydroxy-3H-isoindol-1-one
CID 118460130
2-tert-butyl-1,3-dihydro-2-benzazepine
CID 11008979
1-tert-butyl-3-(2-fluorophenyl)imidazolidine-2,4-dione
CID 79257527
2-(4-methylphenyl)-3H-isoindol-1-one
CID 2836108
ditert-butyl(1H-inden-2-yl)phosphane
CID 21095963

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3,6-dihydropyrazino[1,2-b]isoquinoline-1,4-dione?
The IUPAC name of 2-tert-butyl-3,6-dihydropyrazino[1,2-b]isoquinoline-1,4-dione (CID 122378962) is 2-tert-butyl-3,6-dihydropyrazino[1,2-b]isoquinoline-1,4-dione.
What is the SMILES notation for 2-tert-butyl-3,6-dihydropyrazino[1,2-b]isoquinoline-1,4-dione?
The canonical SMILES for 2-tert-butyl-3,6-dihydropyrazino[1,2-b]isoquinoline-1,4-dione is CC(C)(C)N1CC(=O)N2Cc3ccccc3C=C2C1=O.
What is the InChIKey of 2-tert-butyl-3,6-dihydropyrazino[1,2-b]isoquinoline-1,4-dione?
The InChIKey is AMZAKKWHOHPCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-16(2,3)18-10-14(19)17-9-12-7-5-4-6-11(12)8-13(17)15(18)20/h4-8H,9-10H2,1-3H3.
What are the key properties of 2-tert-butyl-3,6-dihydropyrazino[1,2-b]isoquinoline-1,4-dione?
2-tert-butyl-3,6-dihydropyrazino[1,2-b]isoquinoline-1,4-dione has a molecular weight of 270.33 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3,6-dihydropyrazino[1,2-b]isoquinoline-1,4-dione is sourced from PubChem (CID 122378962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).