1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-4-ylphenoxy)propan-2-ol

C23H24N2O2 — CID 90335126

IUPAC1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-4-ylphenoxy)propan-2-ol
SMILESOC(COc1cccc(-c2ccncc2)c1)CN1CCc2ccccc2C1
InChIInChI=1S/C23H24N2O2/c26-22(16-25-13-10-18-4-1-2-5-21(18)15-25)17-27-23-7-3-6-20(14-23)19-8-11-24-12-9-19/h1-9,11-12,14,22,26H,10,13,15-17H2
InChIKeyZFUDMRPKVWOLFK-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.55
Rot. Bonds6

About 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-4-ylphenoxy)propan-2-ol

1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-4-ylphenoxy)propan-2-ol (PubChem CID 90335126) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-4-ylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-4-ylphenoxy)propan-2-ol
PubChem CID90335126
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-4-ylphenoxy)propan-2-ol
SMILESOC(COc1cccc(-c2ccncc2)c1)CN1CCc2ccccc2C1
InChIInChI=1S/C23H24N2O2/c26-22(16-25-13-10-18-4-1-2-5-21(18)15-25)17-27-23-7-3-6-20(14-23)19-8-11-24-12-9-19/h1-9,11-12,14,22,26H,10,13,15-17H2
InChIKeyZFUDMRPKVWOLFK-UHFFFAOYSA-N
XLogP3.55
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-4-ylphenoxy)propan-2-ol?
The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-4-ylphenoxy)propan-2-ol (CID 90335126) is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-4-ylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-4-ylphenoxy)propan-2-ol?
The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-4-ylphenoxy)propan-2-ol is OC(COc1cccc(-c2ccncc2)c1)CN1CCc2ccccc2C1.
What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-4-ylphenoxy)propan-2-ol?
The InChIKey is ZFUDMRPKVWOLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c26-22(16-25-13-10-18-4-1-2-5-21(18)15-25)17-27-23-7-3-6-20(14-23)19-8-11-24-12-9-19/h1-9,11-12,14,22,26H,10,13,15-17H2.
What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-4-ylphenoxy)propan-2-ol?
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-4-ylphenoxy)propan-2-ol has a molecular weight of 360.46 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-4-ylphenoxy)propan-2-ol is sourced from PubChem (CID 90335126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).