2-hydroxy-10a-methyl-5,10-dihydro-1H-imidazo[1,5-b]isoquinolin-3-one

C12H14N2O2 — CID 143193655

IUPAC2-hydroxy-10a-methyl-5,10-dihydro-1H-imidazo[1,5-b]isoquinolin-3-one
SMILESCC12Cc3ccccc3CN1C(=O)N(O)C2
InChIInChI=1S/C12H14N2O2/c1-12-6-9-4-2-3-5-10(9)7-13(12)11(15)14(16)8-12/h2-5,16H,6-8H2,1H3
InChIKeyMBUZPDBPTMWBCT-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.63
Rot. Bonds

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

2-hydroxy-10a-methyl-5,10-dihydro-1H-imidazo[1,5-b]isoquinolin-3-one (PubChem CID 143193655) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-hydroxy-10a-methyl-5,10-dihydro-1H-imidazo[1,5-b]isoquinolin-3-one.

Molecular Properties

Compound Name2-hydroxy-10a-methyl-5,10-dihydro-1H-imidazo[1,5-b]isoquinolin-3-one
PubChem CID143193655
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-hydroxy-10a-methyl-5,10-dihydro-1H-imidazo[1,5-b]isoquinolin-3-one
SMILESCC12Cc3ccccc3CN1C(=O)N(O)C2
InChIInChI=1S/C12H14N2O2/c1-12-6-9-4-2-3-5-10(9)7-13(12)11(15)14(16)8-12/h2-5,16H,6-8H2,1H3
InChIKeyMBUZPDBPTMWBCT-UHFFFAOYSA-N
XLogP1.63
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

Analyze 2-hydroxy-10a-methyl-5,10-dihydro-1H-imidazo[1,5-b]isoquinolin-3-one with MolForge

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Related Compounds

(S)-2-(2-Piperidin-1-yl-ethyl)-1,5,10,10a-tetrahydro-2H-imidazo[1,5-b]isoquinolin-3-one
CID 44403246
Isoindolin-2-yl(4-isopropylpiperazin-1-yl)methanone
CID 44418472
(4-Cyclopropylpiperazin-1-yl)(isoindolin-2-yl)methanone
CID 44418473
(4-Cyclopentylpiperazin-1-yl)(isoindolin-2-yl)methanone
CID 44418477
(8aR)-2-cyclohexyl-7-[(2-methylphenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75368651
1-(3-phenyl-1,5,6,10b-tetrahydroimidazo[5,1-a]isoquinolin-2(3H)-yl)ethanone
CID 4297604
N,N-dimethyl-2,3-dihydro-1H-isoindole-2-carboxamide
CID 68278575
(8-Fluoro-10-oxo-9,11-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-11-yl) hydrogen sulfate
CID 159450830
1,1-dimethyl-1,5,6,10b-tetrahydroimidazo[5,1-a]isoquinolin-3(2H)-one
CID 12955657
3,4-Dihydro-N-methoxy-N-methyl-2(1H)-isoquinolinecarboxamide
CID 12185911
3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindole-2-carboxamide
CID 12901748
(4-Butylpiperazin-1-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 20795356

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-10a-methyl-5,10-dihydro-1H-imidazo[1,5-b]isoquinolin-3-one?
The IUPAC name of 2-hydroxy-10a-methyl-5,10-dihydro-1H-imidazo[1,5-b]isoquinolin-3-one (CID 143193655) is 2-hydroxy-10a-methyl-5,10-dihydro-1H-imidazo[1,5-b]isoquinolin-3-one.
What is the SMILES notation for 2-hydroxy-10a-methyl-5,10-dihydro-1H-imidazo[1,5-b]isoquinolin-3-one?
The canonical SMILES for 2-hydroxy-10a-methyl-5,10-dihydro-1H-imidazo[1,5-b]isoquinolin-3-one is CC12Cc3ccccc3CN1C(=O)N(O)C2.
What is the InChIKey of 2-hydroxy-10a-methyl-5,10-dihydro-1H-imidazo[1,5-b]isoquinolin-3-one?
The InChIKey is MBUZPDBPTMWBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-12-6-9-4-2-3-5-10(9)7-13(12)11(15)14(16)8-12/h2-5,16H,6-8H2,1H3.
What are the key properties of 2-hydroxy-10a-methyl-5,10-dihydro-1H-imidazo[1,5-b]isoquinolin-3-one?
2-hydroxy-10a-methyl-5,10-dihydro-1H-imidazo[1,5-b]isoquinolin-3-one has a molecular weight of 218.26 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-10a-methyl-5,10-dihydro-1H-imidazo[1,5-b]isoquinolin-3-one is sourced from PubChem (CID 143193655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).