3-methyl-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2H-isoquinolin-1-one

C22H22N2O — CID 23084760

IUPAC3-methyl-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2H-isoquinolin-1-one
SMILESCc1[nH]c(=O)c2ccccc2c1CN1CC=C(c2ccccc2)CC1
InChIInChI=1S/C22H22N2O/c1-16-21(19-9-5-6-10-20(19)22(25)23-16)15-24-13-11-18(12-14-24)17-7-3-2-4-8-17/h2-11H,12-15H2,1H3,(H,23,25)
InChIKeyIZEGGHBVFRJRGX-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.13
Rot. Bonds3

About 3-methyl-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2H-isoquinolin-1-one

3-methyl-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2H-isoquinolin-1-one (PubChem CID 23084760) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is 3-methyl-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2H-isoquinolin-1-one.

Molecular Properties

Compound Name3-methyl-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2H-isoquinolin-1-one
PubChem CID23084760
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name3-methyl-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2H-isoquinolin-1-one
SMILESCc1[nH]c(=O)c2ccccc2c1CN1CC=C(c2ccccc2)CC1
InChIInChI=1S/C22H22N2O/c1-16-21(19-9-5-6-10-20(19)22(25)23-16)15-24-13-11-18(12-14-24)17-7-3-2-4-8-17/h2-11H,12-15H2,1H3,(H,23,25)
InChIKeyIZEGGHBVFRJRGX-UHFFFAOYSA-N
XLogP4.13
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-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 3-methyl-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2H-isoquinolin-1-one?
The IUPAC name of 3-methyl-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2H-isoquinolin-1-one (CID 23084760) is 3-methyl-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2H-isoquinolin-1-one.
What is the SMILES notation for 3-methyl-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2H-isoquinolin-1-one?
The canonical SMILES for 3-methyl-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2H-isoquinolin-1-one is Cc1[nH]c(=O)c2ccccc2c1CN1CC=C(c2ccccc2)CC1.
What is the InChIKey of 3-methyl-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2H-isoquinolin-1-one?
The InChIKey is IZEGGHBVFRJRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c1-16-21(19-9-5-6-10-20(19)22(25)23-16)15-24-13-11-18(12-14-24)17-7-3-2-4-8-17/h2-11H,12-15H2,1H3,(H,23,25).
What are the key properties of 3-methyl-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2H-isoquinolin-1-one?
3-methyl-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2H-isoquinolin-1-one has a molecular weight of 330.43 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2H-isoquinolin-1-one is sourced from PubChem (CID 23084760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).