(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-fluoroindol-1-yl)propan-2-ol

C20H21FN2O — CID 177371293

IUPAC(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-fluoroindol-1-yl)propan-2-ol
SMILESO[C@H](CN1CCc2ccccc2C1)Cn1ccc2cc(F)ccc21
InChIInChI=1S/C20H21FN2O/c21-18-5-6-20-16(11-18)8-10-23(20)14-19(24)13-22-9-7-15-3-1-2-4-17(15)12-22/h1-6,8,10-11,19,24H,7,9,12-14H2/t19-/m1/s1
InChIKeyQZQCHSUCFKTFEP-LJQANCHMSA-N
MW324.40 g/mol
LogP3.20
Rot. Bonds4

About (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-fluoroindol-1-yl)propan-2-ol

(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-fluoroindol-1-yl)propan-2-ol (PubChem CID 177371293) has the molecular formula C20H21FN2O and a molecular weight of 324.40 g/mol. Its IUPAC name is (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-fluoroindol-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-fluoroindol-1-yl)propan-2-ol
PubChem CID177371293
Molecular FormulaC20H21FN2O
Molecular Weight324.40 g/mol
Exact Mass324.16
IUPAC Name(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-fluoroindol-1-yl)propan-2-ol
SMILESO[C@H](CN1CCc2ccccc2C1)Cn1ccc2cc(F)ccc21
InChIInChI=1S/C20H21FN2O/c21-18-5-6-20-16(11-18)8-10-23(20)14-19(24)13-22-9-7-15-3-1-2-4-17(15)12-22/h1-6,8,10-11,19,24H,7,9,12-14H2/t19-/m1/s1
InChIKeyQZQCHSUCFKTFEP-LJQANCHMSA-N
XLogP3.20
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-fluoroindol-1-yl)propan-2-ol?
The IUPAC name of (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-fluoroindol-1-yl)propan-2-ol (CID 177371293) is (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-fluoroindol-1-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-fluoroindol-1-yl)propan-2-ol?
The canonical SMILES for (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-fluoroindol-1-yl)propan-2-ol is O[C@H](CN1CCc2ccccc2C1)Cn1ccc2cc(F)ccc21.
What is the InChIKey of (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-fluoroindol-1-yl)propan-2-ol?
The InChIKey is QZQCHSUCFKTFEP-LJQANCHMSA-N. The full InChI is InChI=1S/C20H21FN2O/c21-18-5-6-20-16(11-18)8-10-23(20)14-19(24)13-22-9-7-15-3-1-2-4-17(15)12-22/h1-6,8,10-11,19,24H,7,9,12-14H2/t19-/m1/s1.
What are the key properties of (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-fluoroindol-1-yl)propan-2-ol?
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-fluoroindol-1-yl)propan-2-ol has a molecular weight of 324.40 g/mol, XLogP of 3.20, 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-(5-fluoroindol-1-yl)propan-2-ol is sourced from PubChem (CID 177371293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).