(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-indol-1-ylpropan-2-ol

C20H22N2O — CID 177371280

IUPAC(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-indol-1-ylpropan-2-ol
SMILESO[C@H](CN1CCc2ccccc2C1)Cn1ccc2ccccc21
InChIInChI=1S/C20H22N2O/c23-19(15-22-12-10-17-6-3-4-8-20(17)22)14-21-11-9-16-5-1-2-7-18(16)13-21/h1-8,10,12,19,23H,9,11,13-15H2/t19-/m1/s1
InChIKeyJPPLAEXKODYGTP-LJQANCHMSA-N
MW306.41 g/mol
LogP3.06
Rot. Bonds4

About (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-indol-1-ylpropan-2-ol

(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-indol-1-ylpropan-2-ol (PubChem CID 177371280) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-indol-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-indol-1-ylpropan-2-ol
PubChem CID177371280
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-indol-1-ylpropan-2-ol
SMILESO[C@H](CN1CCc2ccccc2C1)Cn1ccc2ccccc21
InChIInChI=1S/C20H22N2O/c23-19(15-22-12-10-17-6-3-4-8-20(17)22)14-21-11-9-16-5-1-2-7-18(16)13-21/h1-8,10,12,19,23H,9,11,13-15H2/t19-/m1/s1
InChIKeyJPPLAEXKODYGTP-LJQANCHMSA-N
XLogP3.06
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-indol-1-ylpropan-2-ol 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 (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-indol-1-ylpropan-2-ol?
The IUPAC name of (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-indol-1-ylpropan-2-ol (CID 177371280) is (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-indol-1-ylpropan-2-ol.
What is the SMILES notation for (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-indol-1-ylpropan-2-ol?
The canonical SMILES for (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-indol-1-ylpropan-2-ol is O[C@H](CN1CCc2ccccc2C1)Cn1ccc2ccccc21.
What is the InChIKey of (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-indol-1-ylpropan-2-ol?
The InChIKey is JPPLAEXKODYGTP-LJQANCHMSA-N. The full InChI is InChI=1S/C20H22N2O/c23-19(15-22-12-10-17-6-3-4-8-20(17)22)14-21-11-9-16-5-1-2-7-18(16)13-21/h1-8,10,12,19,23H,9,11,13-15H2/t19-/m1/s1.
What are the key properties of (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-indol-1-ylpropan-2-ol?
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-indol-1-ylpropan-2-ol has a molecular weight of 306.41 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-indol-1-ylpropan-2-ol is sourced from PubChem (CID 177371280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).