6-phenyl-3,4-dihydro-2H-isoquinolin-1-one

C15H13NO — CID 70290217

IUPAC6-phenyl-3,4-dihydro-2H-isoquinolin-1-one
SMILESO=C1NCCc2cc(-c3ccccc3)ccc21
InChIInChI=1S/C15H13NO/c17-15-14-7-6-12(10-13(14)8-9-16-15)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,16,17)
InChIKeyJIFHLFJWIUUCJC-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.64
Rot. Bonds1

About 6-phenyl-3,4-dihydro-2H-isoquinolin-1-one

6-phenyl-3,4-dihydro-2H-isoquinolin-1-one (PubChem CID 70290217) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is 6-phenyl-3,4-dihydro-2H-isoquinolin-1-one.

Molecular Properties

Compound Name6-phenyl-3,4-dihydro-2H-isoquinolin-1-one
PubChem CID70290217
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name6-phenyl-3,4-dihydro-2H-isoquinolin-1-one
SMILESO=C1NCCc2cc(-c3ccccc3)ccc21
InChIInChI=1S/C15H13NO/c17-15-14-7-6-12(10-13(14)8-9-16-15)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,16,17)
InChIKeyJIFHLFJWIUUCJC-UHFFFAOYSA-N
XLogP2.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-phenyl-3,4-dihydro-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

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-3,4-dihydro-2H-isoquinolin-1-one?
The IUPAC name of 6-phenyl-3,4-dihydro-2H-isoquinolin-1-one (CID 70290217) is 6-phenyl-3,4-dihydro-2H-isoquinolin-1-one.
What is the SMILES notation for 6-phenyl-3,4-dihydro-2H-isoquinolin-1-one?
The canonical SMILES for 6-phenyl-3,4-dihydro-2H-isoquinolin-1-one is O=C1NCCc2cc(-c3ccccc3)ccc21.
What is the InChIKey of 6-phenyl-3,4-dihydro-2H-isoquinolin-1-one?
The InChIKey is JIFHLFJWIUUCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c17-15-14-7-6-12(10-13(14)8-9-16-15)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,16,17).
What are the key properties of 6-phenyl-3,4-dihydro-2H-isoquinolin-1-one?
6-phenyl-3,4-dihydro-2H-isoquinolin-1-one has a molecular weight of 223.28 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-3,4-dihydro-2H-isoquinolin-1-one is sourced from PubChem (CID 70290217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).