2-benzyl-6-methylisoquinolin-3-one

C17H15NO — CID 134912822

IUPAC2-benzyl-6-methylisoquinolin-3-one
SMILESCc1ccc2cn(Cc3ccccc3)c(=O)cc2c1
InChIInChI=1S/C17H15NO/c1-13-7-8-15-12-18(17(19)10-16(15)9-13)11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3
InChIKeyKSWNFRCEXYLOTR-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.36
Rot. Bonds2

About 2-benzyl-6-methylisoquinolin-3-one

2-benzyl-6-methylisoquinolin-3-one (PubChem CID 134912822) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-benzyl-6-methylisoquinolin-3-one.

Molecular Properties

Compound Name2-benzyl-6-methylisoquinolin-3-one
PubChem CID134912822
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name2-benzyl-6-methylisoquinolin-3-one
SMILESCc1ccc2cn(Cc3ccccc3)c(=O)cc2c1
InChIInChI=1S/C17H15NO/c1-13-7-8-15-12-18(17(19)10-16(15)9-13)11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3
InChIKeyKSWNFRCEXYLOTR-UHFFFAOYSA-N
XLogP3.36
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-benzyl-6-methylisoquinolin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-2-chloro-4-methylpyrrole
CID 139840309
1-benzyl-5-bromopyridin-2-one
CID 15395936
1-benzyl-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione
CID 22520187
1-benzyl-7-methylpyrimido[4,5-b]quinolin-4-one
CID 102309094
1,5-dibenzylpyridin-2-one
CID 24938871
5-iodo-1-[(3-methylphenyl)methyl]pyridin-2-one
CID 79777705
1-(1-benzylpiperidin-4-yl)-6-methylquinolin-2-one;hydrochloride
CID 19030841
1-(1-benzyl-5-methylindol-3-yl)-N,N-dimethylmethanamine
CID 132510883
1-benzyl-5-chloro-2-methylpyrimidin-4-one
CID 145173710
3-amino-1-benzyl-5-bromopyridin-2-one
CID 90251201
1-benzyl-5-(hydroxymethyl)pyridin-2-one
CID 23240890
1-benzyl-2-methylpyridin-4-one
CID 154013206

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-methylisoquinolin-3-one?
The IUPAC name of 2-benzyl-6-methylisoquinolin-3-one (CID 134912822) is 2-benzyl-6-methylisoquinolin-3-one.
What is the SMILES notation for 2-benzyl-6-methylisoquinolin-3-one?
The canonical SMILES for 2-benzyl-6-methylisoquinolin-3-one is Cc1ccc2cn(Cc3ccccc3)c(=O)cc2c1.
What is the InChIKey of 2-benzyl-6-methylisoquinolin-3-one?
The InChIKey is KSWNFRCEXYLOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c1-13-7-8-15-12-18(17(19)10-16(15)9-13)11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3.
What are the key properties of 2-benzyl-6-methylisoquinolin-3-one?
2-benzyl-6-methylisoquinolin-3-one has a molecular weight of 249.31 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-methylisoquinolin-3-one is sourced from PubChem (CID 134912822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).