4-methyl-4,6-diphenyl-2-propan-2-yl-3H-isoquinolin-1-one

C25H25NO — CID 102572936

IUPAC4-methyl-4,6-diphenyl-2-propan-2-yl-3H-isoquinolin-1-one
SMILESCC(C)N1CC(C)(c2ccccc2)c2cc(-c3ccccc3)ccc2C1=O
InChIInChI=1S/C25H25NO/c1-18(2)26-17-25(3,21-12-8-5-9-13-21)23-16-20(14-15-22(23)24(26)27)19-10-6-4-7-11-19/h4-16,18H,17H2,1-3H3
InChIKeyIPBGLSCZPSWAGK-UHFFFAOYSA-N
MW355.48 g/mol
LogP5.52
Rot. Bonds3

About 4-methyl-4,6-diphenyl-2-propan-2-yl-3H-isoquinolin-1-one

4-methyl-4,6-diphenyl-2-propan-2-yl-3H-isoquinolin-1-one (PubChem CID 102572936) has the molecular formula C25H25NO and a molecular weight of 355.48 g/mol. Its IUPAC name is 4-methyl-4,6-diphenyl-2-propan-2-yl-3H-isoquinolin-1-one.

Molecular Properties

Compound Name4-methyl-4,6-diphenyl-2-propan-2-yl-3H-isoquinolin-1-one
PubChem CID102572936
Molecular FormulaC25H25NO
Molecular Weight355.48 g/mol
Exact Mass355.19
IUPAC Name4-methyl-4,6-diphenyl-2-propan-2-yl-3H-isoquinolin-1-one
SMILESCC(C)N1CC(C)(c2ccccc2)c2cc(-c3ccccc3)ccc2C1=O
InChIInChI=1S/C25H25NO/c1-18(2)26-17-25(3,21-12-8-5-9-13-21)23-16-20(14-15-22(23)24(26)27)19-10-6-4-7-11-19/h4-16,18H,17H2,1-3H3
InChIKeyIPBGLSCZPSWAGK-UHFFFAOYSA-N
XLogP5.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-methyl-4,6-diphenyl-2-propan-2-yl-3H-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

6-chloro-4-methyl-4-phenyl-2-propan-2-yl-3H-isoquinoline-1-thione
CID 10711457
1,3-dimethyl-5-[4-[4-(9-methyl-9-phenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzimidazol-2-one
CID 172507715
1,3-dimethyl-5-[4-[2-(9-methyl-9-phenylfluoren-2-yl)-6-phenylpyrimidin-4-yl]phenyl]benzimidazol-2-one
CID 172507770
2-(3,5-diphenylphenyl)-7-[4-[7-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58880913
2,7-bis(3,5-diphenylphenyl)-9,9-dimethylfluorene
CID 59217114
2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-phenylisoindole-1,3-dione
CID 130395517
3,3-dimethyl-5-phenyl-1H-indol-2-one
CID 79018952
9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
9-[4-(4-methylphenyl)phenyl]-9-phenyl-2,7-bis(4-phenylphenyl)fluorene
CID 58894820
2-[4-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]-9,9-dimethylfluorene
CID 165167642
2-methyl-6'-phenylspiro[isoquinoline-4,4'-naphthalene]-1,1',3-trione
CID 170551604
4-[4-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
CID 168776832

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4,6-diphenyl-2-propan-2-yl-3H-isoquinolin-1-one?
The IUPAC name of 4-methyl-4,6-diphenyl-2-propan-2-yl-3H-isoquinolin-1-one (CID 102572936) is 4-methyl-4,6-diphenyl-2-propan-2-yl-3H-isoquinolin-1-one.
What is the SMILES notation for 4-methyl-4,6-diphenyl-2-propan-2-yl-3H-isoquinolin-1-one?
The canonical SMILES for 4-methyl-4,6-diphenyl-2-propan-2-yl-3H-isoquinolin-1-one is CC(C)N1CC(C)(c2ccccc2)c2cc(-c3ccccc3)ccc2C1=O.
What is the InChIKey of 4-methyl-4,6-diphenyl-2-propan-2-yl-3H-isoquinolin-1-one?
The InChIKey is IPBGLSCZPSWAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO/c1-18(2)26-17-25(3,21-12-8-5-9-13-21)23-16-20(14-15-22(23)24(26)27)19-10-6-4-7-11-19/h4-16,18H,17H2,1-3H3.
What are the key properties of 4-methyl-4,6-diphenyl-2-propan-2-yl-3H-isoquinolin-1-one?
4-methyl-4,6-diphenyl-2-propan-2-yl-3H-isoquinolin-1-one has a molecular weight of 355.48 g/mol, XLogP of 5.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4,6-diphenyl-2-propan-2-yl-3H-isoquinolin-1-one is sourced from PubChem (CID 102572936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).