3-(aminomethyl)-7-phenyl-2H-isoquinolin-1-one

C16H14N2O — CID 134330655

IUPAC3-(aminomethyl)-7-phenyl-2H-isoquinolin-1-one
SMILESNCc1cc2ccc(-c3ccccc3)cc2c(=O)[nH]1
InChIInChI=1S/C16H14N2O/c17-10-14-8-13-7-6-12(9-15(13)16(19)18-14)11-4-2-1-3-5-11/h1-9H,10,17H2,(H,18,19)
InChIKeyFMHZEUQOODEFHV-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.65
Rot. Bonds2

About 3-(aminomethyl)-7-phenyl-2H-isoquinolin-1-one

3-(aminomethyl)-7-phenyl-2H-isoquinolin-1-one (PubChem CID 134330655) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-(aminomethyl)-7-phenyl-2H-isoquinolin-1-one.

Molecular Properties

Compound Name3-(aminomethyl)-7-phenyl-2H-isoquinolin-1-one
PubChem CID134330655
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name3-(aminomethyl)-7-phenyl-2H-isoquinolin-1-one
SMILESNCc1cc2ccc(-c3ccccc3)cc2c(=O)[nH]1
InChIInChI=1S/C16H14N2O/c17-10-14-8-13-7-6-12(9-15(13)16(19)18-14)11-4-2-1-3-5-11/h1-9H,10,17H2,(H,18,19)
InChIKeyFMHZEUQOODEFHV-UHFFFAOYSA-N
XLogP2.65
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(aminomethyl)-7-phenyl-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-(aminomethyl)-7-phenyl-2H-isoquinolin-1-one?
The IUPAC name of 3-(aminomethyl)-7-phenyl-2H-isoquinolin-1-one (CID 134330655) is 3-(aminomethyl)-7-phenyl-2H-isoquinolin-1-one.
What is the SMILES notation for 3-(aminomethyl)-7-phenyl-2H-isoquinolin-1-one?
The canonical SMILES for 3-(aminomethyl)-7-phenyl-2H-isoquinolin-1-one is NCc1cc2ccc(-c3ccccc3)cc2c(=O)[nH]1.
What is the InChIKey of 3-(aminomethyl)-7-phenyl-2H-isoquinolin-1-one?
The InChIKey is FMHZEUQOODEFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c17-10-14-8-13-7-6-12(9-15(13)16(19)18-14)11-4-2-1-3-5-11/h1-9H,10,17H2,(H,18,19).
What are the key properties of 3-(aminomethyl)-7-phenyl-2H-isoquinolin-1-one?
3-(aminomethyl)-7-phenyl-2H-isoquinolin-1-one has a molecular weight of 250.30 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-7-phenyl-2H-isoquinolin-1-one is sourced from PubChem (CID 134330655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).