3-methyl-1,1-diphenylisoquinolin-4-one

C22H17NO — CID 14570452

IUPAC3-methyl-1,1-diphenylisoquinolin-4-one
SMILESCC1=NC(c2ccccc2)(c2ccccc2)c2ccccc2C1=O
InChIInChI=1S/C22H17NO/c1-16-21(24)19-14-8-9-15-20(19)22(23-16,17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15H,1H3
InChIKeyGNKZJEIFESFABQ-UHFFFAOYSA-N
MW311.38 g/mol
LogP4.64
Rot. Bonds2

About 3-methyl-1,1-diphenylisoquinolin-4-one

3-methyl-1,1-diphenylisoquinolin-4-one (PubChem CID 14570452) has the molecular formula C22H17NO and a molecular weight of 311.38 g/mol. Its IUPAC name is 3-methyl-1,1-diphenylisoquinolin-4-one.

Molecular Properties

Compound Name3-methyl-1,1-diphenylisoquinolin-4-one
PubChem CID14570452
Molecular FormulaC22H17NO
Molecular Weight311.38 g/mol
Exact Mass311.13
IUPAC Name3-methyl-1,1-diphenylisoquinolin-4-one
SMILESCC1=NC(c2ccccc2)(c2ccccc2)c2ccccc2C1=O
InChIInChI=1S/C22H17NO/c1-16-21(24)19-14-8-9-15-20(19)22(23-16,17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15H,1H3
InChIKeyGNKZJEIFESFABQ-UHFFFAOYSA-N
XLogP4.64
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methyl-1,1-diphenylisoquinolin-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,1-diphenylisoquinolin-4-one?
The IUPAC name of 3-methyl-1,1-diphenylisoquinolin-4-one (CID 14570452) is 3-methyl-1,1-diphenylisoquinolin-4-one.
What is the SMILES notation for 3-methyl-1,1-diphenylisoquinolin-4-one?
The canonical SMILES for 3-methyl-1,1-diphenylisoquinolin-4-one is CC1=NC(c2ccccc2)(c2ccccc2)c2ccccc2C1=O.
What is the InChIKey of 3-methyl-1,1-diphenylisoquinolin-4-one?
The InChIKey is GNKZJEIFESFABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO/c1-16-21(24)19-14-8-9-15-20(19)22(23-16,17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15H,1H3.
What are the key properties of 3-methyl-1,1-diphenylisoquinolin-4-one?
3-methyl-1,1-diphenylisoquinolin-4-one has a molecular weight of 311.38 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,1-diphenylisoquinolin-4-one is sourced from PubChem (CID 14570452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).