2-methyl-1,5,6,10b-tetrahydroimidazo[5,1-a]isoquinolin-3-one

C12H14N2O — CID 70960065

IUPAC2-methyl-1,5,6,10b-tetrahydroimidazo[5,1-a]isoquinolin-3-one
SMILESCN1CC2c3ccccc3CCN2C1=O
InChIInChI=1S/C12H14N2O/c1-13-8-11-10-5-3-2-4-9(10)6-7-14(11)12(13)15/h2-5,11H,6-8H2,1H3
InChIKeyUIQBIFDJVNTSJC-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.65
Rot. Bonds

About 2-methyl-1,5,6,10b-tetrahydroimidazo[5,1-a]isoquinolin-3-one

2-methyl-1,5,6,10b-tetrahydroimidazo[5,1-a]isoquinolin-3-one (PubChem CID 70960065) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-methyl-1,5,6,10b-tetrahydroimidazo[5,1-a]isoquinolin-3-one.

Molecular Properties

Compound Name2-methyl-1,5,6,10b-tetrahydroimidazo[5,1-a]isoquinolin-3-one
PubChem CID70960065
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-methyl-1,5,6,10b-tetrahydroimidazo[5,1-a]isoquinolin-3-one
SMILESCN1CC2c3ccccc3CCN2C1=O
InChIInChI=1S/C12H14N2O/c1-13-8-11-10-5-3-2-4-9(10)6-7-14(11)12(13)15/h2-5,11H,6-8H2,1H3
InChIKeyUIQBIFDJVNTSJC-UHFFFAOYSA-N
XLogP1.65
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(N-Butylcarbamoyl)-1,2,3,4-tetrahydroisoquinoline
CID 2900185
1,2,3,5,6,10b-Hexahydropyrrolo[2,1-a]isoquinoline
CID 12272373
(3aR,7aR)-1-(1-Benzyl-piperidin-4-yl)-3-ethyl-octahydro-benzoimidazol-2-one
CID 9902583
(S)-2-(2-Piperidin-1-yl-ethyl)-1,5,10,10a-tetrahydro-2H-imidazo[1,5-b]isoquinolin-3-one
CID 44403246
(S)-2-(2-Piperidin-1-yl-ethyl)-1,2,3,5,10,10a-hexahydro-imidazo[1,5-b]isoquinoline
CID 44403247
(S)-isoindolin-2-yl(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl)methanone
CID 44418471
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
(3,4-dihydroisoquinolin-2(1H)-yl)(4-isopropylpiperazin-1-yl)methanone
CID 44418491
N-methyl-N-(2-(piperidin-1-yl)ethyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
CID 44579427
1-Benzyl-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one
CID 45272412

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,5,6,10b-tetrahydroimidazo[5,1-a]isoquinolin-3-one?
The IUPAC name of 2-methyl-1,5,6,10b-tetrahydroimidazo[5,1-a]isoquinolin-3-one (CID 70960065) is 2-methyl-1,5,6,10b-tetrahydroimidazo[5,1-a]isoquinolin-3-one.
What is the SMILES notation for 2-methyl-1,5,6,10b-tetrahydroimidazo[5,1-a]isoquinolin-3-one?
The canonical SMILES for 2-methyl-1,5,6,10b-tetrahydroimidazo[5,1-a]isoquinolin-3-one is CN1CC2c3ccccc3CCN2C1=O.
What is the InChIKey of 2-methyl-1,5,6,10b-tetrahydroimidazo[5,1-a]isoquinolin-3-one?
The InChIKey is UIQBIFDJVNTSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-13-8-11-10-5-3-2-4-9(10)6-7-14(11)12(13)15/h2-5,11H,6-8H2,1H3.
What are the key properties of 2-methyl-1,5,6,10b-tetrahydroimidazo[5,1-a]isoquinolin-3-one?
2-methyl-1,5,6,10b-tetrahydroimidazo[5,1-a]isoquinolin-3-one has a molecular weight of 202.26 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,5,6,10b-tetrahydroimidazo[5,1-a]isoquinolin-3-one is sourced from PubChem (CID 70960065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).