1H-imidazo[2,1-a]isoquinolin-5-one

C11H8N2O — CID 54009795

IUPAC1H-imidazo[2,1-a]isoquinolin-5-one
SMILESO=c1cc2ccccc2c2[nH]ccn12
InChIInChI=1S/C11H8N2O/c14-10-7-8-3-1-2-4-9(8)11-12-5-6-13(10)11/h1-7,12H
InChIKeyGKPKAEKRCZDMHE-UHFFFAOYSA-N
MW184.20 g/mol
LogP1.78
Rot. Bonds

About 1H-imidazo[2,1-a]isoquinolin-5-one

1H-imidazo[2,1-a]isoquinolin-5-one (PubChem CID 54009795) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is 1H-imidazo[2,1-a]isoquinolin-5-one.

Molecular Properties

Compound Name1H-imidazo[2,1-a]isoquinolin-5-one
PubChem CID54009795
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name1H-imidazo[2,1-a]isoquinolin-5-one
SMILESO=c1cc2ccccc2c2[nH]ccn12
InChIInChI=1S/C11H8N2O/c14-10-7-8-3-1-2-4-9(8)11-12-5-6-13(10)11/h1-7,12H
InChIKeyGKPKAEKRCZDMHE-UHFFFAOYSA-N
XLogP1.78
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,12-Diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaene-6-carboxamide
CID 54091461
4-Methyl-2,12-diazatricyclo[7.3.1.05,13]trideca-1(13),4,6,8,10-pentaen-3-one
CID 54128485
2,12-Diazatricyclo[7.3.1.05,13]trideca-1(13),4,6,8,10-pentaen-3-one
CID 54464518
1,4-Diazatricyclo[6.3.1.04,12]dodeca-2,6,8(12),9-tetraene-5,11-dione
CID 68605821
6-oxo-N-(2H-pyridin-1-ylmethyl)-1H-pyridine-3-carboxamide
CID 69980586
8-Methyl-2,12-diazatricyclo[7.3.1.05,13]trideca-1(13),4,6,8,10-pentaen-3-one
CID 91141309
5-methyl-1-[(1E)-1-(methylamino)buta-1,3-dienyl]pyridin-2-one
CID 142086971
3,5-dimethyl-6-(methylamino)-1-[(Z)-prop-1-enyl]pyridin-2-one
CID 144730475
4-tert-butyl-6-(methylamino)-1-[(Z)-prop-1-enyl]pyridin-2-one
CID 144730537
8-propan-2-yl-1H-imidazo[1,2-a]pyridin-5-one
CID 147743379
7-methyl-1H-imidazo[1,2-a]pyridin-5-one
CID 154953964
ethane;7-methyl-1H-imidazo[1,2-a]pyridin-5-one
CID 163302282

Frequently Asked Questions

What is the IUPAC name of 1H-imidazo[2,1-a]isoquinolin-5-one?
The IUPAC name of 1H-imidazo[2,1-a]isoquinolin-5-one (CID 54009795) is 1H-imidazo[2,1-a]isoquinolin-5-one.
What is the SMILES notation for 1H-imidazo[2,1-a]isoquinolin-5-one?
The canonical SMILES for 1H-imidazo[2,1-a]isoquinolin-5-one is O=c1cc2ccccc2c2[nH]ccn12.
What is the InChIKey of 1H-imidazo[2,1-a]isoquinolin-5-one?
The InChIKey is GKPKAEKRCZDMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O/c14-10-7-8-3-1-2-4-9(8)11-12-5-6-13(10)11/h1-7,12H.
What are the key properties of 1H-imidazo[2,1-a]isoquinolin-5-one?
1H-imidazo[2,1-a]isoquinolin-5-one has a molecular weight of 184.20 g/mol, XLogP of 1.78, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazo[2,1-a]isoquinolin-5-one is sourced from PubChem (CID 54009795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).