1-[2-(4-methylphenyl)imidazo[2,1-a]isoquinolin-3-yl]ethanone

C20H16N2O — CID 974031

IUPAC1-[2-(4-methylphenyl)imidazo[2,1-a]isoquinolin-3-yl]ethanone
SMILESCC(=O)c1c(-c2ccc(C)cc2)nc2c3ccccc3ccn12
InChIInChI=1S/C20H16N2O/c1-13-7-9-16(10-8-13)18-19(14(2)23)22-12-11-15-5-3-4-6-17(15)20(22)21-18/h3-12H,1-2H3
InChIKeyYMGLMCBVFMLGGJ-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.67
Rot. Bonds2

About 1-[2-(4-methylphenyl)imidazo[2,1-a]isoquinolin-3-yl]ethanone

1-[2-(4-methylphenyl)imidazo[2,1-a]isoquinolin-3-yl]ethanone (PubChem CID 974031) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-[2-(4-methylphenyl)imidazo[2,1-a]isoquinolin-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-methylphenyl)imidazo[2,1-a]isoquinolin-3-yl]ethanone
PubChem CID974031
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name1-[2-(4-methylphenyl)imidazo[2,1-a]isoquinolin-3-yl]ethanone
SMILESCC(=O)c1c(-c2ccc(C)cc2)nc2c3ccccc3ccn12
InChIInChI=1S/C20H16N2O/c1-13-7-9-16(10-8-13)18-19(14(2)23)22-12-11-15-5-3-4-6-17(15)20(22)21-18/h3-12H,1-2H3
InChIKeyYMGLMCBVFMLGGJ-UHFFFAOYSA-N
XLogP4.67
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylphenyl)imidazo[2,1-a]isoquinolin-3-yl]ethanone?
The IUPAC name of 1-[2-(4-methylphenyl)imidazo[2,1-a]isoquinolin-3-yl]ethanone (CID 974031) is 1-[2-(4-methylphenyl)imidazo[2,1-a]isoquinolin-3-yl]ethanone.
What is the SMILES notation for 1-[2-(4-methylphenyl)imidazo[2,1-a]isoquinolin-3-yl]ethanone?
The canonical SMILES for 1-[2-(4-methylphenyl)imidazo[2,1-a]isoquinolin-3-yl]ethanone is CC(=O)c1c(-c2ccc(C)cc2)nc2c3ccccc3ccn12.
What is the InChIKey of 1-[2-(4-methylphenyl)imidazo[2,1-a]isoquinolin-3-yl]ethanone?
The InChIKey is YMGLMCBVFMLGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O/c1-13-7-9-16(10-8-13)18-19(14(2)23)22-12-11-15-5-3-4-6-17(15)20(22)21-18/h3-12H,1-2H3.
What are the key properties of 1-[2-(4-methylphenyl)imidazo[2,1-a]isoquinolin-3-yl]ethanone?
1-[2-(4-methylphenyl)imidazo[2,1-a]isoquinolin-3-yl]ethanone has a molecular weight of 300.36 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylphenyl)imidazo[2,1-a]isoquinolin-3-yl]ethanone is sourced from PubChem (CID 974031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).