2-methyl-3-phenyl-3,4-dihydroisoquinolin-1-one

C16H15NO — CID 10609923

IUPAC2-methyl-3-phenyl-3,4-dihydroisoquinolin-1-one
SMILESCN1C(=O)c2ccccc2CC1c1ccccc1
InChIInChI=1S/C16H15NO/c1-17-15(12-7-3-2-4-8-12)11-13-9-5-6-10-14(13)16(17)18/h2-10,15H,11H2,1H3
InChIKeyZMUXLFZXEWLBRZ-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.06
Rot. Bonds1

About 2-methyl-3-phenyl-3,4-dihydroisoquinolin-1-one

2-methyl-3-phenyl-3,4-dihydroisoquinolin-1-one (PubChem CID 10609923) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-methyl-3-phenyl-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name2-methyl-3-phenyl-3,4-dihydroisoquinolin-1-one
PubChem CID10609923
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name2-methyl-3-phenyl-3,4-dihydroisoquinolin-1-one
SMILESCN1C(=O)c2ccccc2CC1c1ccccc1
InChIInChI=1S/C16H15NO/c1-17-15(12-7-3-2-4-8-12)11-13-9-5-6-10-14(13)16(17)18/h2-10,15H,11H2,1H3
InChIKeyZMUXLFZXEWLBRZ-UHFFFAOYSA-N
XLogP3.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-3-(1-methylazetidin-3-yl)-3,4-dihydroisoquinolin-1-one
CID 118572114
1-methyl-6-phenylpiperidine-2,4-dione
CID 10035783
2-butyl-3-pyridin-4-yl-3,4-dihydroisoquinolin-1-one
CID 134913579
2-[3-(fluoroamino)propyl]-3-phenyl-3,4-dihydroisoquinolin-1-one;formic acid
CID 176952011
ethane;2-methyl-3,4-dihydroisoquinolin-1-one
CID 91447303
2-benzoyl-3-pyridin-4-yl-3,4-dihydroisoquinolin-1-one
CID 134913817
3-(3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydroisoquinolin-1-one
CID 176893532
2-cyclopropyl-3-methyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine
CID 12920356
(3R,7S)-4-methyl-3,7-diphenyl-1,4-oxazepan-5-one
CID 142880307
2-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]isoindole-1,3-dione
CID 140931544
gold(1+);4-oxo-2,3-dihydro-1H-naphthalene-2-thiolate
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CID 6420665

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenyl-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 2-methyl-3-phenyl-3,4-dihydroisoquinolin-1-one (CID 10609923) is 2-methyl-3-phenyl-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 2-methyl-3-phenyl-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 2-methyl-3-phenyl-3,4-dihydroisoquinolin-1-one is CN1C(=O)c2ccccc2CC1c1ccccc1.
What is the InChIKey of 2-methyl-3-phenyl-3,4-dihydroisoquinolin-1-one?
The InChIKey is ZMUXLFZXEWLBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-17-15(12-7-3-2-4-8-12)11-13-9-5-6-10-14(13)16(17)18/h2-10,15H,11H2,1H3.
What are the key properties of 2-methyl-3-phenyl-3,4-dihydroisoquinolin-1-one?
2-methyl-3-phenyl-3,4-dihydroisoquinolin-1-one has a molecular weight of 237.30 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenyl-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 10609923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).