3-(2,4-dimethylbenzoyl)-4-hydroxy-2H-isoquinolin-1-one

C18H15NO3 — CID 6619808

IUPAC3-(2,4-dimethylbenzoyl)-4-hydroxy-2H-isoquinolin-1-one
SMILESCc1ccc(C(=O)c2[nH]c(=O)c3ccccc3c2O)c(C)c1
InChIInChI=1S/C18H15NO3/c1-10-7-8-12(11(2)9-10)16(20)15-17(21)13-5-3-4-6-14(13)18(22)19-15/h3-9,21H,1-2H3,(H,19,22)
InChIKeyUTYGCXCWJWMNPY-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.08
Rot. Bonds2

About 3-(2,4-dimethylbenzoyl)-4-hydroxy-2H-isoquinolin-1-one

3-(2,4-dimethylbenzoyl)-4-hydroxy-2H-isoquinolin-1-one (PubChem CID 6619808) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 3-(2,4-dimethylbenzoyl)-4-hydroxy-2H-isoquinolin-1-one.

Molecular Properties

Compound Name3-(2,4-dimethylbenzoyl)-4-hydroxy-2H-isoquinolin-1-one
PubChem CID6619808
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name3-(2,4-dimethylbenzoyl)-4-hydroxy-2H-isoquinolin-1-one
SMILESCc1ccc(C(=O)c2[nH]c(=O)c3ccccc3c2O)c(C)c1
InChIInChI=1S/C18H15NO3/c1-10-7-8-12(11(2)9-10)16(20)15-17(21)13-5-3-4-6-14(13)18(22)19-15/h3-9,21H,1-2H3,(H,19,22)
InChIKeyUTYGCXCWJWMNPY-UHFFFAOYSA-N
XLogP3.08
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2,4-dimethylbenzoyl)-4-hydroxy-2H-isoquinolin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-cyano-2-oxo-5,6-dihydro-1H-benzo[h]quinolin-4-yl)benzoic acid
CID 118725946
2(1H)-Quinolinone, 3-(2,4-dimethylbenzoyl)-4-hydroxy-
CID 54697300
2-(2,6-Dimethylanilino)-3-hydroxy-naphthalene-1,4-dione
CID 71812412
3-(3-aminobenzoyl)-4-hydroxy-2H-isoquinolin-1-one
CID 135972855
3-benzoyl-4-hydroxy-1(2H)-isoquinolinone
CID 136274369
4-Hydroxy-3-phenyl-2H-isoquinolin-1-one
CID 4271052
3-[2-(hydroxymethyl)phenyl]-2H-isoquinolin-1-one
CID 44575139
3-[2-(hydroxymethyl)phenyl]-6-methyl-2H-isoquinolin-1-one
CID 44575140
3-[2-(hydroxymethyl)phenyl]-7-methyl-2H-isoquinolin-1-one
CID 44575141
4-Hydroxy-1-oxo-1,2-dihydroisoquinoline-3-carboxamide
CID 54723891
3-(4-Fluoro-phenyl)-4-hydroxy-2H-isoquinolin-1-one
CID 44315705
N-(1-hydroxy-3,4-dioxonaphthalen-2-yl)cyclohexanecarboxamide
CID 44332420

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylbenzoyl)-4-hydroxy-2H-isoquinolin-1-one?
The IUPAC name of 3-(2,4-dimethylbenzoyl)-4-hydroxy-2H-isoquinolin-1-one (CID 6619808) is 3-(2,4-dimethylbenzoyl)-4-hydroxy-2H-isoquinolin-1-one.
What is the SMILES notation for 3-(2,4-dimethylbenzoyl)-4-hydroxy-2H-isoquinolin-1-one?
The canonical SMILES for 3-(2,4-dimethylbenzoyl)-4-hydroxy-2H-isoquinolin-1-one is Cc1ccc(C(=O)c2[nH]c(=O)c3ccccc3c2O)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylbenzoyl)-4-hydroxy-2H-isoquinolin-1-one?
The InChIKey is UTYGCXCWJWMNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-10-7-8-12(11(2)9-10)16(20)15-17(21)13-5-3-4-6-14(13)18(22)19-15/h3-9,21H,1-2H3,(H,19,22).
What are the key properties of 3-(2,4-dimethylbenzoyl)-4-hydroxy-2H-isoquinolin-1-one?
3-(2,4-dimethylbenzoyl)-4-hydroxy-2H-isoquinolin-1-one has a molecular weight of 293.32 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylbenzoyl)-4-hydroxy-2H-isoquinolin-1-one is sourced from PubChem (CID 6619808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).