7-phenyl-4-propyl-3,4-dihydro-2H-isoquinolin-1-one

C18H19NO — CID 82133749

IUPAC7-phenyl-4-propyl-3,4-dihydro-2H-isoquinolin-1-one
SMILESCCCC1CNC(=O)c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C18H19NO/c1-2-6-15-12-19-18(20)17-11-14(9-10-16(15)17)13-7-4-3-5-8-13/h3-5,7-11,15H,2,6,12H2,1H3,(H,19,20)
InChIKeyQGSGQHYUENYWQU-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.98
Rot. Bonds3

About 7-phenyl-4-propyl-3,4-dihydro-2H-isoquinolin-1-one

7-phenyl-4-propyl-3,4-dihydro-2H-isoquinolin-1-one (PubChem CID 82133749) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 7-phenyl-4-propyl-3,4-dihydro-2H-isoquinolin-1-one.

Molecular Properties

Compound Name7-phenyl-4-propyl-3,4-dihydro-2H-isoquinolin-1-one
PubChem CID82133749
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name7-phenyl-4-propyl-3,4-dihydro-2H-isoquinolin-1-one
SMILESCCCC1CNC(=O)c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C18H19NO/c1-2-6-15-12-19-18(20)17-11-14(9-10-16(15)17)13-7-4-3-5-8-13/h3-5,7-11,15H,2,6,12H2,1H3,(H,19,20)
InChIKeyQGSGQHYUENYWQU-UHFFFAOYSA-N
XLogP3.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 7-phenyl-4-propyl-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 7-phenyl-4-propyl-3,4-dihydro-2H-isoquinolin-1-one?
The IUPAC name of 7-phenyl-4-propyl-3,4-dihydro-2H-isoquinolin-1-one (CID 82133749) is 7-phenyl-4-propyl-3,4-dihydro-2H-isoquinolin-1-one.
What is the SMILES notation for 7-phenyl-4-propyl-3,4-dihydro-2H-isoquinolin-1-one?
The canonical SMILES for 7-phenyl-4-propyl-3,4-dihydro-2H-isoquinolin-1-one is CCCC1CNC(=O)c2cc(-c3ccccc3)ccc21.
What is the InChIKey of 7-phenyl-4-propyl-3,4-dihydro-2H-isoquinolin-1-one?
The InChIKey is QGSGQHYUENYWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-2-6-15-12-19-18(20)17-11-14(9-10-16(15)17)13-7-4-3-5-8-13/h3-5,7-11,15H,2,6,12H2,1H3,(H,19,20).
What are the key properties of 7-phenyl-4-propyl-3,4-dihydro-2H-isoquinolin-1-one?
7-phenyl-4-propyl-3,4-dihydro-2H-isoquinolin-1-one has a molecular weight of 265.36 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-4-propyl-3,4-dihydro-2H-isoquinolin-1-one is sourced from PubChem (CID 82133749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).