2-(4-acetylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione

C19H16N2O3 — CID 3788765

IUPAC2-(4-acetylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione
SMILESCC(=O)c1ccc(N2C(=O)C3Cc4ccccc4CN3C2=O)cc1
InChIInChI=1S/C19H16N2O3/c1-12(22)13-6-8-16(9-7-13)21-18(23)17-10-14-4-2-3-5-15(14)11-20(17)19(21)24/h2-9,17H,10-11H2,1H3
InChIKeyFTMZRHJESZBIQR-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.78
Rot. Bonds2

About 2-(4-acetylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione

2-(4-acetylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione (PubChem CID 3788765) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-(4-acetylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-(4-acetylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione
PubChem CID3788765
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name2-(4-acetylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione
SMILESCC(=O)c1ccc(N2C(=O)C3Cc4ccccc4CN3C2=O)cc1
InChIInChI=1S/C19H16N2O3/c1-12(22)13-6-8-16(9-7-13)21-18(23)17-10-14-4-2-3-5-15(14)11-20(17)19(21)24/h2-9,17H,10-11H2,1H3
InChIKeyFTMZRHJESZBIQR-UHFFFAOYSA-N
XLogP2.78
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(10aR)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]benzoic acid
CID 7082297
4-[(10aR)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]benzoate
CID 7082296
(10aS)-2-(4-methylsulfanylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione
CID 7688638
(10aS)-2-(4-fluorophenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione
CID 7632350
4-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]-N-(4-fluorophenyl)benzamide
CID 7581383
2-(2-methylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione
CID 4897900
2-(3-fluorophenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione
CID 4891187
(8aR)-2-(4-acetylphenyl)-7-benzoyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 163175009
(10aR)-2-(2-ethylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione
CID 92507578
4-[(10aR)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide
CID 51808630
(10aR)-2-(4-chlorophenyl)-3-sulfanylidene-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-1-one
CID 40555366
N-(4-acetylphenyl)-1,3-dioxo-2-phenyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 78522899

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione?
The IUPAC name of 2-(4-acetylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione (CID 3788765) is 2-(4-acetylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione.
What is the SMILES notation for 2-(4-acetylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione?
The canonical SMILES for 2-(4-acetylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione is CC(=O)c1ccc(N2C(=O)C3Cc4ccccc4CN3C2=O)cc1.
What is the InChIKey of 2-(4-acetylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione?
The InChIKey is FTMZRHJESZBIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-12(22)13-6-8-16(9-7-13)21-18(23)17-10-14-4-2-3-5-15(14)11-20(17)19(21)24/h2-9,17H,10-11H2,1H3.
What are the key properties of 2-(4-acetylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione?
2-(4-acetylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione has a molecular weight of 320.35 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione is sourced from PubChem (CID 3788765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).