8-hydroxy-2,3,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-1-one

C12H14N2O2 — CID 115107456

IUPAC8-hydroxy-2,3,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-1-one
SMILESO=C1CNCC2CCc3cc(O)ccc3N12
InChIInChI=1S/C12H14N2O2/c15-10-3-4-11-8(5-10)1-2-9-6-13-7-12(16)14(9)11/h3-5,9,13,15H,1-2,6-7H2
InChIKeyQOONGLRBVBLSQH-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.64
Rot. Bonds

About 8-hydroxy-2,3,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-1-one

8-hydroxy-2,3,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-1-one (PubChem CID 115107456) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 8-hydroxy-2,3,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-1-one.

Molecular Properties

Compound Name8-hydroxy-2,3,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-1-one
PubChem CID115107456
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name8-hydroxy-2,3,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-1-one
SMILESO=C1CNCC2CCc3cc(O)ccc3N12
InChIInChI=1S/C12H14N2O2/c15-10-3-4-11-8(5-10)1-2-9-6-13-7-12(16)14(9)11/h3-5,9,13,15H,1-2,6-7H2
InChIKeyQOONGLRBVBLSQH-UHFFFAOYSA-N
XLogP0.64
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9-bromo-2,3,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-1-one
CID 115107452
8-hydroxy-1,3,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-2-one
CID 115107570
8-bromo-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one
CID 84742972
8-propan-2-yl-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one
CID 84740780
6-amino-1-(azetidin-3-yl)-3,4-dihydroquinolin-2-one
CID 117040514
7-bromo-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one
CID 84742973
(3S,3aR)-3-ethenyl-7-hydroxy-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one
CID 15341577
(3R,3aS)-3-ethenyl-7-hydroxy-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one
CID 22874112
2-amino-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-7-ol
CID 105456514
1-amino-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-8-ol
CID 105472873
6-ethyl-1-oxo-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-9-carbonitrile
CID 84635970
7-hydroxy-1-methyl-4,5-dihydro-3H-1-benzazepin-2-one
CID 83853018

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-2,3,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-1-one?
The IUPAC name of 8-hydroxy-2,3,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-1-one (CID 115107456) is 8-hydroxy-2,3,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-1-one.
What is the SMILES notation for 8-hydroxy-2,3,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-1-one?
The canonical SMILES for 8-hydroxy-2,3,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-1-one is O=C1CNCC2CCc3cc(O)ccc3N12.
What is the InChIKey of 8-hydroxy-2,3,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-1-one?
The InChIKey is QOONGLRBVBLSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c15-10-3-4-11-8(5-10)1-2-9-6-13-7-12(16)14(9)11/h3-5,9,13,15H,1-2,6-7H2.
What are the key properties of 8-hydroxy-2,3,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-1-one?
8-hydroxy-2,3,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-1-one has a molecular weight of 218.26 g/mol, XLogP of 0.64, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-2,3,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-1-one is sourced from PubChem (CID 115107456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).