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

C16H15NO — CID 20720956

IUPAC1-methyl-3-phenyl-2,3-dihydro-1H-isoquinolin-4-one
SMILESCC1NC(c2ccccc2)C(=O)c2ccccc21
InChIInChI=1S/C16H15NO/c1-11-13-9-5-6-10-14(13)16(18)15(17-11)12-7-3-2-4-8-12/h2-11,15,17H,1H3
InChIKeySRQMYJXQLQQDMX-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.27
Rot. Bonds1

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

1-methyl-3-phenyl-2,3-dihydro-1H-isoquinolin-4-one (PubChem CID 20720956) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-methyl-3-phenyl-2,3-dihydro-1H-isoquinolin-4-one.

Molecular Properties

Compound Name1-methyl-3-phenyl-2,3-dihydro-1H-isoquinolin-4-one
PubChem CID20720956
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name1-methyl-3-phenyl-2,3-dihydro-1H-isoquinolin-4-one
SMILESCC1NC(c2ccccc2)C(=O)c2ccccc21
InChIInChI=1S/C16H15NO/c1-11-13-9-5-6-10-14(13)16(18)15(17-11)12-7-3-2-4-8-12/h2-11,15,17H,1H3
InChIKeySRQMYJXQLQQDMX-UHFFFAOYSA-N
XLogP3.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenyl-2,3-dihydro-1H-isoquinolin-4-one?
The IUPAC name of 1-methyl-3-phenyl-2,3-dihydro-1H-isoquinolin-4-one (CID 20720956) is 1-methyl-3-phenyl-2,3-dihydro-1H-isoquinolin-4-one.
What is the SMILES notation for 1-methyl-3-phenyl-2,3-dihydro-1H-isoquinolin-4-one?
The canonical SMILES for 1-methyl-3-phenyl-2,3-dihydro-1H-isoquinolin-4-one is CC1NC(c2ccccc2)C(=O)c2ccccc21.
What is the InChIKey of 1-methyl-3-phenyl-2,3-dihydro-1H-isoquinolin-4-one?
The InChIKey is SRQMYJXQLQQDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-11-13-9-5-6-10-14(13)16(18)15(17-11)12-7-3-2-4-8-12/h2-11,15,17H,1H3.
What are the key properties of 1-methyl-3-phenyl-2,3-dihydro-1H-isoquinolin-4-one?
1-methyl-3-phenyl-2,3-dihydro-1H-isoquinolin-4-one has a molecular weight of 237.30 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenyl-2,3-dihydro-1H-isoquinolin-4-one is sourced from PubChem (CID 20720956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).