3-morpholin-4-yl-3,4-dihydro-2H-isoquinolin-1-one

C13H16N2O2 — CID 167326828

IUPAC3-morpholin-4-yl-3,4-dihydro-2H-isoquinolin-1-one
SMILESO=C1NC(N2CCOCC2)Cc2ccccc21
InChIInChI=1S/C13H16N2O2/c16-13-11-4-2-1-3-10(11)9-12(14-13)15-5-7-17-8-6-15/h1-4,12H,5-9H2,(H,14,16)
InChIKeyGVCMOYFNZXPOSH-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.63
Rot. Bonds1

About 3-morpholin-4-yl-3,4-dihydro-2H-isoquinolin-1-one

3-morpholin-4-yl-3,4-dihydro-2H-isoquinolin-1-one (PubChem CID 167326828) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-morpholin-4-yl-3,4-dihydro-2H-isoquinolin-1-one.

Molecular Properties

Compound Name3-morpholin-4-yl-3,4-dihydro-2H-isoquinolin-1-one
PubChem CID167326828
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-morpholin-4-yl-3,4-dihydro-2H-isoquinolin-1-one
SMILESO=C1NC(N2CCOCC2)Cc2ccccc21
InChIInChI=1S/C13H16N2O2/c16-13-11-4-2-1-3-10(11)9-12(14-13)15-5-7-17-8-6-15/h1-4,12H,5-9H2,(H,14,16)
InChIKeyGVCMOYFNZXPOSH-UHFFFAOYSA-N
XLogP0.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-morpholin-4-yl-3,4-dihydro-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-morpholin-4-yl-3,4-dihydro-2H-isoquinolin-1-one?
The IUPAC name of 3-morpholin-4-yl-3,4-dihydro-2H-isoquinolin-1-one (CID 167326828) is 3-morpholin-4-yl-3,4-dihydro-2H-isoquinolin-1-one.
What is the SMILES notation for 3-morpholin-4-yl-3,4-dihydro-2H-isoquinolin-1-one?
The canonical SMILES for 3-morpholin-4-yl-3,4-dihydro-2H-isoquinolin-1-one is O=C1NC(N2CCOCC2)Cc2ccccc21.
What is the InChIKey of 3-morpholin-4-yl-3,4-dihydro-2H-isoquinolin-1-one?
The InChIKey is GVCMOYFNZXPOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-13-11-4-2-1-3-10(11)9-12(14-13)15-5-7-17-8-6-15/h1-4,12H,5-9H2,(H,14,16).
What are the key properties of 3-morpholin-4-yl-3,4-dihydro-2H-isoquinolin-1-one?
3-morpholin-4-yl-3,4-dihydro-2H-isoquinolin-1-one has a molecular weight of 232.28 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-3,4-dihydro-2H-isoquinolin-1-one is sourced from PubChem (CID 167326828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).