2-methyl-4-phenylisoquinolin-1-one

C16H13NO — CID 3499770

IUPAC2-methyl-4-phenylisoquinolin-1-one
SMILESCn1cc(-c2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C16H13NO/c1-17-11-15(12-7-3-2-4-8-12)13-9-5-6-10-14(13)16(17)18/h2-11H,1H3
InChIKeyWWSYAOSOUAEOIE-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.21
Rot. Bonds1

About 2-methyl-4-phenylisoquinolin-1-one

2-methyl-4-phenylisoquinolin-1-one (PubChem CID 3499770) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-methyl-4-phenylisoquinolin-1-one.

Molecular Properties

Compound Name2-methyl-4-phenylisoquinolin-1-one
PubChem CID3499770
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name2-methyl-4-phenylisoquinolin-1-one
SMILESCn1cc(-c2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C16H13NO/c1-17-11-15(12-7-3-2-4-8-12)13-9-5-6-10-14(13)16(17)18/h2-11H,1H3
InChIKeyWWSYAOSOUAEOIE-UHFFFAOYSA-N
XLogP3.21
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-4-phenylisoquinolin-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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenylisoquinolin-1-one?
The IUPAC name of 2-methyl-4-phenylisoquinolin-1-one (CID 3499770) is 2-methyl-4-phenylisoquinolin-1-one.
What is the SMILES notation for 2-methyl-4-phenylisoquinolin-1-one?
The canonical SMILES for 2-methyl-4-phenylisoquinolin-1-one is Cn1cc(-c2ccccc2)c2ccccc2c1=O.
What is the InChIKey of 2-methyl-4-phenylisoquinolin-1-one?
The InChIKey is WWSYAOSOUAEOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO/c1-17-11-15(12-7-3-2-4-8-12)13-9-5-6-10-14(13)16(17)18/h2-11H,1H3.
What are the key properties of 2-methyl-4-phenylisoquinolin-1-one?
2-methyl-4-phenylisoquinolin-1-one has a molecular weight of 235.29 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenylisoquinolin-1-one is sourced from PubChem (CID 3499770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).