3-hydroxy-2-methyl-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one

C12H14N2O2 — CID 20653580

IUPAC3-hydroxy-2-methyl-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one
SMILESCN1C(=O)C2Cc3ccccc3CN2C1O
InChIInChI=1S/C12H14N2O2/c1-13-11(15)10-6-8-4-2-3-5-9(8)7-14(10)12(13)16/h2-5,10,12,16H,6-7H2,1H3
InChIKeyNIQOXIVMGRMZQJ-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.16
Rot. Bonds

About 3-hydroxy-2-methyl-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one

3-hydroxy-2-methyl-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one (PubChem CID 20653580) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one.

Molecular Properties

Compound Name3-hydroxy-2-methyl-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one
PubChem CID20653580
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-hydroxy-2-methyl-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one
SMILESCN1C(=O)C2Cc3ccccc3CN2C1O
InChIInChI=1S/C12H14N2O2/c1-13-11(15)10-6-8-4-2-3-5-9(8)7-14(10)12(13)16/h2-5,10,12,16H,6-7H2,1H3
InChIKeyNIQOXIVMGRMZQJ-UHFFFAOYSA-N
XLogP0.16
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)-3-phenyl-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one
CID 3825974
(4S)-2,4-dimethyl-4,5-dihydro-1H-2-benzazepin-3-one
CID 163242327
10,10a-dihydro-5H-[1,3]oxazolo[3,4-b]isoquinoline-1,3-dione
CID 2733656
2-methyl-3a,4,9,9a-tetrahydrobenzo[f]isoindole-1,3-dione
CID 85416219
2-(4-acetylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione
CID 3788765
2-benzyl-3-phenyl-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one
CID 4640936
(10aS)-2-(4-methylphenyl)-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one
CID 11808033
1,12-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-3,5,7-triene-11,17-dione
CID 21355157
2,3-dimethyl-2,5-dihydro-1H-3-benzazepin-4-one
CID 59116752
3-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]propanoic acid
CID 7646877
(10aS)-2-(4-methylsulfanylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione
CID 7688638
(3S,10aS)-3-(2-chlorophenyl)-3,5,10,10a-tetrahydro-2H-imidazo[1,5-b]isoquinolin-1-one
CID 51966235

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one?
The IUPAC name of 3-hydroxy-2-methyl-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one (CID 20653580) is 3-hydroxy-2-methyl-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one.
What is the SMILES notation for 3-hydroxy-2-methyl-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one?
The canonical SMILES for 3-hydroxy-2-methyl-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one is CN1C(=O)C2Cc3ccccc3CN2C1O.
What is the InChIKey of 3-hydroxy-2-methyl-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one?
The InChIKey is NIQOXIVMGRMZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-13-11(15)10-6-8-4-2-3-5-9(8)7-14(10)12(13)16/h2-5,10,12,16H,6-7H2,1H3.
What are the key properties of 3-hydroxy-2-methyl-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one?
3-hydroxy-2-methyl-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one has a molecular weight of 218.26 g/mol, XLogP of 0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one is sourced from PubChem (CID 20653580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).