2-[(2S)-2-aminopropyl]isoquinolin-1-one

C12H14N2O — CID 103934884

IUPAC2-[(2S)-2-aminopropyl]isoquinolin-1-one
SMILESC[C@H](N)Cn1ccc2ccccc2c1=O
InChIInChI=1S/C12H14N2O/c1-9(13)8-14-7-6-10-4-2-3-5-11(10)12(14)15/h2-7,9H,8,13H2,1H3/t9-/m0/s1
InChIKeyQYSGXUHCVCZLQN-VIFPVBQESA-N
MW202.26 g/mol
LogP1.35
Rot. Bonds2

About 2-[(2S)-2-aminopropyl]isoquinolin-1-one

2-[(2S)-2-aminopropyl]isoquinolin-1-one (PubChem CID 103934884) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-[(2S)-2-aminopropyl]isoquinolin-1-one.

Molecular Properties

Compound Name2-[(2S)-2-aminopropyl]isoquinolin-1-one
PubChem CID103934884
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-[(2S)-2-aminopropyl]isoquinolin-1-one
SMILESC[C@H](N)Cn1ccc2ccccc2c1=O
InChIInChI=1S/C12H14N2O/c1-9(13)8-14-7-6-10-4-2-3-5-11(10)12(14)15/h2-7,9H,8,13H2,1H3/t9-/m0/s1
InChIKeyQYSGXUHCVCZLQN-VIFPVBQESA-N
XLogP1.35
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2S)-2-aminopropyl]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 2-[(2S)-2-aminopropyl]isoquinolin-1-one?
The IUPAC name of 2-[(2S)-2-aminopropyl]isoquinolin-1-one (CID 103934884) is 2-[(2S)-2-aminopropyl]isoquinolin-1-one.
What is the SMILES notation for 2-[(2S)-2-aminopropyl]isoquinolin-1-one?
The canonical SMILES for 2-[(2S)-2-aminopropyl]isoquinolin-1-one is C[C@H](N)Cn1ccc2ccccc2c1=O.
What is the InChIKey of 2-[(2S)-2-aminopropyl]isoquinolin-1-one?
The InChIKey is QYSGXUHCVCZLQN-VIFPVBQESA-N. The full InChI is InChI=1S/C12H14N2O/c1-9(13)8-14-7-6-10-4-2-3-5-11(10)12(14)15/h2-7,9H,8,13H2,1H3/t9-/m0/s1.
What are the key properties of 2-[(2S)-2-aminopropyl]isoquinolin-1-one?
2-[(2S)-2-aminopropyl]isoquinolin-1-one has a molecular weight of 202.26 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-aminopropyl]isoquinolin-1-one is sourced from PubChem (CID 103934884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).