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

C17H20N2O2 — CID 76684429

IUPAC6-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-pyridin-2-one
SMILESO=c1cccc(CC(O)CN2CCc3ccccc3C2)[nH]1
InChIInChI=1S/C17H20N2O2/c20-16(10-15-6-3-7-17(21)18-15)12-19-9-8-13-4-1-2-5-14(13)11-19/h1-7,16,20H,8-12H2,(H,18,21)
InChIKeyNHRDYNNHHLDMLY-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.34
Rot. Bonds4

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

6-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-pyridin-2-one (PubChem CID 76684429) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 6-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-pyridin-2-one
PubChem CID76684429
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name6-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-pyridin-2-one
SMILESO=c1cccc(CC(O)CN2CCc3ccccc3C2)[nH]1
InChIInChI=1S/C17H20N2O2/c20-16(10-15-6-3-7-17(21)18-15)12-19-9-8-13-4-1-2-5-14(13)11-19/h1-7,16,20H,8-12H2,(H,18,21)
InChIKeyNHRDYNNHHLDMLY-UHFFFAOYSA-N
XLogP1.34
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-pyridin-2-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 6-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-pyridin-2-one?
The IUPAC name of 6-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-pyridin-2-one (CID 76684429) is 6-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-pyridin-2-one?
The canonical SMILES for 6-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-pyridin-2-one is O=c1cccc(CC(O)CN2CCc3ccccc3C2)[nH]1.
What is the InChIKey of 6-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-pyridin-2-one?
The InChIKey is NHRDYNNHHLDMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c20-16(10-15-6-3-7-17(21)18-15)12-19-9-8-13-4-1-2-5-14(13)11-19/h1-7,16,20H,8-12H2,(H,18,21).
What are the key properties of 6-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-pyridin-2-one?
6-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-pyridin-2-one has a molecular weight of 284.36 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-pyridin-2-one is sourced from PubChem (CID 76684429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).