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

C12H14N2O2 — CID 115107570

IUPAC8-hydroxy-1,3,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-2-one
SMILESO=C1CN2c3ccc(O)cc3CCC2CN1
InChIInChI=1S/C12H14N2O2/c15-10-3-4-11-8(5-10)1-2-9-6-13-12(16)7-14(9)11/h3-5,9,15H,1-2,6-7H2,(H,13,16)
InChIKeyPRQBYQCABRXIIL-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.64
Rot. Bonds

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

8-hydroxy-1,3,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-2-one (PubChem CID 115107570) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 8-hydroxy-1,3,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-2-one.

Molecular Properties

Compound Name8-hydroxy-1,3,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-2-one
PubChem CID115107570
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name8-hydroxy-1,3,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-2-one
SMILESO=C1CN2c3ccc(O)cc3CCC2CN1
InChIInChI=1S/C12H14N2O2/c15-10-3-4-11-8(5-10)1-2-9-6-13-12(16)7-14(9)11/h3-5,9,15H,1-2,6-7H2,(H,13,16)
InChIKeyPRQBYQCABRXIIL-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

8-hydroxy-2,3,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-1-one
CID 115107456
8-fluoro-2,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-3-one
CID 115107539
2,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-3-one
CID 115107523
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
(2R)-1-ethyl-2-methyl-3,4-dihydro-2H-quinolin-6-ol
CID 99907724
(3R,3aS)-3-ethenyl-7-hydroxy-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one
CID 22874112
(3S,3aR)-3-ethenyl-7-hydroxy-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one
CID 15341577
8-chloro-3,3a,4,5-tetrahydro-2H-imidazo[1,5-a]quinolin-1-one
CID 121006170
2-(6-oxopiperidin-3-yl)-5-phenyl-3H-isoindol-1-one
CID 168875078
3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 71517902
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-1,3,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-2-one?
The IUPAC name of 8-hydroxy-1,3,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-2-one (CID 115107570) is 8-hydroxy-1,3,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-2-one.
What is the SMILES notation for 8-hydroxy-1,3,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-2-one?
The canonical SMILES for 8-hydroxy-1,3,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-2-one is O=C1CN2c3ccc(O)cc3CCC2CN1.
What is the InChIKey of 8-hydroxy-1,3,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-2-one?
The InChIKey is PRQBYQCABRXIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c15-10-3-4-11-8(5-10)1-2-9-6-13-12(16)7-14(9)11/h3-5,9,15H,1-2,6-7H2,(H,13,16).
What are the key properties of 8-hydroxy-1,3,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-2-one?
8-hydroxy-1,3,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-2-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-1,3,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-2-one is sourced from PubChem (CID 115107570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).