2,6,7,11b-tetrahydro-1H-[1,3]oxazino[4,3-a]isoquinolin-4-one

C12H13NO2 — CID 102418176

IUPAC2,6,7,11b-tetrahydro-1H-[1,3]oxazino[4,3-a]isoquinolin-4-one
SMILESO=C1OCCC2c3ccccc3CCN12
InChIInChI=1S/C12H13NO2/c14-12-13-7-5-9-3-1-2-4-10(9)11(13)6-8-15-12/h1-4,11H,5-8H2
InChIKeyMPLMZYATMMFQOM-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.13
Rot. Bonds

About 2,6,7,11b-tetrahydro-1H-[1,3]oxazino[4,3-a]isoquinolin-4-one

2,6,7,11b-tetrahydro-1H-[1,3]oxazino[4,3-a]isoquinolin-4-one (PubChem CID 102418176) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2,6,7,11b-tetrahydro-1H-[1,3]oxazino[4,3-a]isoquinolin-4-one.

Molecular Properties

Compound Name2,6,7,11b-tetrahydro-1H-[1,3]oxazino[4,3-a]isoquinolin-4-one
PubChem CID102418176
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name2,6,7,11b-tetrahydro-1H-[1,3]oxazino[4,3-a]isoquinolin-4-one
SMILESO=C1OCCC2c3ccccc3CCN12
InChIInChI=1S/C12H13NO2/c14-12-13-7-5-9-3-1-2-4-10(9)11(13)6-8-15-12/h1-4,11H,5-8H2
InChIKeyMPLMZYATMMFQOM-UHFFFAOYSA-N
XLogP2.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,6,7,11b-tetrahydro-1H-[1,3]oxazino[4,3-a]isoquinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one
CID 4314166
1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-4-one
CID 13144291
1-azatetracyclo[9.8.0.03,8.012,17]nonadeca-3,5,7,12,14,16-hexaen-2-one
CID 102593110
(1S,12S)-12-methyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6,11(15)-tetraen-14-one
CID 7091393
(11bR)-1,2,5,6,7,11b-hexahydropyrrolo[2,1-a][2]benzazepin-3-one
CID 56956909
2,3,4,6,7,11b,12,13-octahydroisoquinolino[2,1-a]quinolin-1-one
CID 23265389
(4S,10R)-4-methyl-5-oxa-1-azatetracyclo[8.8.0.02,7.011,16]octadeca-2(7),11,13,15-tetraen-6-one
CID 933532
(2S,11bR)-2-ethenyl-2-methyl-1,6,7,11b-tetrahydro-[1,3]oxazino[4,3-a]isoquinolin-4-one
CID 135021309
1,6,7,11b-tetrahydrobenzo[a]quinolizine-2,4-dione
CID 3702529
1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazolidin-2-one
CID 124578698
(1S)-N'-hydroxy-1-(2-oxo-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-indene-4-carboximidamide
CID 146627730
1-(3,4-dihydro-2H-chromen-4-yl)-1,3-diazinan-2-one
CID 113296325

Frequently Asked Questions

What is the IUPAC name of 2,6,7,11b-tetrahydro-1H-[1,3]oxazino[4,3-a]isoquinolin-4-one?
The IUPAC name of 2,6,7,11b-tetrahydro-1H-[1,3]oxazino[4,3-a]isoquinolin-4-one (CID 102418176) is 2,6,7,11b-tetrahydro-1H-[1,3]oxazino[4,3-a]isoquinolin-4-one.
What is the SMILES notation for 2,6,7,11b-tetrahydro-1H-[1,3]oxazino[4,3-a]isoquinolin-4-one?
The canonical SMILES for 2,6,7,11b-tetrahydro-1H-[1,3]oxazino[4,3-a]isoquinolin-4-one is O=C1OCCC2c3ccccc3CCN12.
What is the InChIKey of 2,6,7,11b-tetrahydro-1H-[1,3]oxazino[4,3-a]isoquinolin-4-one?
The InChIKey is MPLMZYATMMFQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c14-12-13-7-5-9-3-1-2-4-10(9)11(13)6-8-15-12/h1-4,11H,5-8H2.
What are the key properties of 2,6,7,11b-tetrahydro-1H-[1,3]oxazino[4,3-a]isoquinolin-4-one?
2,6,7,11b-tetrahydro-1H-[1,3]oxazino[4,3-a]isoquinolin-4-one has a molecular weight of 203.24 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,7,11b-tetrahydro-1H-[1,3]oxazino[4,3-a]isoquinolin-4-one is sourced from PubChem (CID 102418176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).