2,3,4,6,7,11b,12,13-octahydroisoquinolino[2,1-a]quinolin-1-one

C17H19NO — CID 23265389

IUPAC2,3,4,6,7,11b,12,13-octahydroisoquinolino[2,1-a]quinolin-1-one
SMILESO=C1CCCC2=C1CCC1c3ccccc3CCN21
InChIInChI=1S/C17H19NO/c19-17-7-3-6-15-14(17)8-9-16-13-5-2-1-4-12(13)10-11-18(15)16/h1-2,4-5,16H,3,6-11H2
InChIKeyVHRHJFLELLPCGA-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.39
Rot. Bonds

About 2,3,4,6,7,11b,12,13-octahydroisoquinolino[2,1-a]quinolin-1-one

2,3,4,6,7,11b,12,13-octahydroisoquinolino[2,1-a]quinolin-1-one (PubChem CID 23265389) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 2,3,4,6,7,11b,12,13-octahydroisoquinolino[2,1-a]quinolin-1-one.

Molecular Properties

Compound Name2,3,4,6,7,11b,12,13-octahydroisoquinolino[2,1-a]quinolin-1-one
PubChem CID23265389
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name2,3,4,6,7,11b,12,13-octahydroisoquinolino[2,1-a]quinolin-1-one
SMILESO=C1CCCC2=C1CCC1c3ccccc3CCN21
InChIInChI=1S/C17H19NO/c19-17-7-3-6-15-14(17)8-9-16-13-5-2-1-4-12(13)10-11-18(15)16/h1-2,4-5,16H,3,6-11H2
InChIKeyVHRHJFLELLPCGA-UHFFFAOYSA-N
XLogP3.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one
CID 4314166
(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
1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-4-one
CID 13144291
13-hydroxyimino-3,4,6,7,11b,12-hexahydro-2H-isoquinolino[2,1-a]quinolin-1-one
CID 3828929
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
[(Z)-[(11bS)-1-oxo-3,4,6,7,11b,12-hexahydro-2H-isoquinolino[2,1-a]quinolin-13-ylidene]amino]urea
CID 6546115
2,6,7,11b-tetrahydro-1H-[1,3]oxazino[4,3-a]isoquinolin-4-one
CID 102418176
1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazolidin-2-one
CID 124578698
2-(cyclopentanecarbonyl)-1,6,7,11b-tetrahydropyrazino[2,1-a]isoquinoline-3,4-dione
CID 57397273
1,6,7,11b-tetrahydrobenzo[a]quinolizine-2,4-dione
CID 3702529

Frequently Asked Questions

What is the IUPAC name of 2,3,4,6,7,11b,12,13-octahydroisoquinolino[2,1-a]quinolin-1-one?
The IUPAC name of 2,3,4,6,7,11b,12,13-octahydroisoquinolino[2,1-a]quinolin-1-one (CID 23265389) is 2,3,4,6,7,11b,12,13-octahydroisoquinolino[2,1-a]quinolin-1-one.
What is the SMILES notation for 2,3,4,6,7,11b,12,13-octahydroisoquinolino[2,1-a]quinolin-1-one?
The canonical SMILES for 2,3,4,6,7,11b,12,13-octahydroisoquinolino[2,1-a]quinolin-1-one is O=C1CCCC2=C1CCC1c3ccccc3CCN21.
What is the InChIKey of 2,3,4,6,7,11b,12,13-octahydroisoquinolino[2,1-a]quinolin-1-one?
The InChIKey is VHRHJFLELLPCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c19-17-7-3-6-15-14(17)8-9-16-13-5-2-1-4-12(13)10-11-18(15)16/h1-2,4-5,16H,3,6-11H2.
What are the key properties of 2,3,4,6,7,11b,12,13-octahydroisoquinolino[2,1-a]quinolin-1-one?
2,3,4,6,7,11b,12,13-octahydroisoquinolino[2,1-a]quinolin-1-one has a molecular weight of 253.34 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6,7,11b,12,13-octahydroisoquinolino[2,1-a]quinolin-1-one is sourced from PubChem (CID 23265389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).