6-(3-acetylphenyl)-3-anilino-2H-isoquinolin-1-one

C23H18N2O2 — CID 16727383

IUPAC6-(3-acetylphenyl)-3-anilino-2H-isoquinolin-1-one
SMILESCC(=O)c1cccc(-c2ccc3c(=O)[nH]c(Nc4ccccc4)cc3c2)c1
InChIInChI=1S/C23H18N2O2/c1-15(26)16-6-5-7-17(12-16)18-10-11-21-19(13-18)14-22(25-23(21)27)24-20-8-3-2-4-9-20/h2-14H,1H3,(H2,24,25,27)
InChIKeyGUHQLBYKFGJDOL-UHFFFAOYSA-N
MW354.41 g/mol
LogP5.14
Rot. Bonds4

About 6-(3-acetylphenyl)-3-anilino-2H-isoquinolin-1-one

6-(3-acetylphenyl)-3-anilino-2H-isoquinolin-1-one (PubChem CID 16727383) has the molecular formula C23H18N2O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 6-(3-acetylphenyl)-3-anilino-2H-isoquinolin-1-one.

Molecular Properties

Compound Name6-(3-acetylphenyl)-3-anilino-2H-isoquinolin-1-one
PubChem CID16727383
Molecular FormulaC23H18N2O2
Molecular Weight354.41 g/mol
Exact Mass354.14
IUPAC Name6-(3-acetylphenyl)-3-anilino-2H-isoquinolin-1-one
SMILESCC(=O)c1cccc(-c2ccc3c(=O)[nH]c(Nc4ccccc4)cc3c2)c1
InChIInChI=1S/C23H18N2O2/c1-15(26)16-6-5-7-17(12-16)18-10-11-21-19(13-18)14-22(25-23(21)27)24-20-8-3-2-4-9-20/h2-14H,1H3,(H2,24,25,27)
InChIKeyGUHQLBYKFGJDOL-UHFFFAOYSA-N
XLogP5.14
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.41
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-(3-acetylphenyl)-3-anilino-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

N-(4-{[(2E)-1-oxo-1,2,3,4-tetrahydronaphthalen-2-ylidene]methyl}phenyl)acetamide
CID 6142841
N-(3-acetylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 7096327
N-(((1,1'-Biphenyl)-4-ylamino)thioxomethyl)benzamide
CID 3034180
N-phenyl-4-[4-(phenylcarbamoyl)phenyl]benzamide
CID 1019926
N-[(3-acetylphenyl)carbamothioyl]-2-methylbenzamide
CID 801995
N-(4-anilinophenyl)-3,4-dimethylbenzamide
CID 843096
4-(2,4-dimethylphenyl)-N-(2-methylphenyl)-4-oxobutanamide
CID 880488
N-(1-ethyl-4-oxo-3-phenylquinolin-2-yl)-2-methylpropanamide
CID 1868952
N-(3-acetylphenyl)-2-naphthalenecarboxamide
CID 2274462
1-(4-Acetylphenyl)-3-naphthalen-1-ylurea
CID 4078786
2-methyl-N-[1-methyl-3-(4-methylphenyl)-4-oxoquinolin-2-yl]propanamide
CID 4900317
N-[3-[(4-ethylbenzoyl)amino]phenyl]-2-methylbenzamide
CID 2995931

Frequently Asked Questions

What is the IUPAC name of 6-(3-acetylphenyl)-3-anilino-2H-isoquinolin-1-one?
The IUPAC name of 6-(3-acetylphenyl)-3-anilino-2H-isoquinolin-1-one (CID 16727383) is 6-(3-acetylphenyl)-3-anilino-2H-isoquinolin-1-one.
What is the SMILES notation for 6-(3-acetylphenyl)-3-anilino-2H-isoquinolin-1-one?
The canonical SMILES for 6-(3-acetylphenyl)-3-anilino-2H-isoquinolin-1-one is CC(=O)c1cccc(-c2ccc3c(=O)[nH]c(Nc4ccccc4)cc3c2)c1.
What is the InChIKey of 6-(3-acetylphenyl)-3-anilino-2H-isoquinolin-1-one?
The InChIKey is GUHQLBYKFGJDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O2/c1-15(26)16-6-5-7-17(12-16)18-10-11-21-19(13-18)14-22(25-23(21)27)24-20-8-3-2-4-9-20/h2-14H,1H3,(H2,24,25,27).
What are the key properties of 6-(3-acetylphenyl)-3-anilino-2H-isoquinolin-1-one?
6-(3-acetylphenyl)-3-anilino-2H-isoquinolin-1-one has a molecular weight of 354.41 g/mol, XLogP of 5.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-acetylphenyl)-3-anilino-2H-isoquinolin-1-one is sourced from PubChem (CID 16727383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).