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

C18H22N2O2 — CID 90248322

IUPAC1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyridin-2-ylmethoxy)propan-2-ol
SMILESOC(COCc1ccccn1)CN1CCc2ccccc2C1
InChIInChI=1S/C18H22N2O2/c21-18(14-22-13-17-7-3-4-9-19-17)12-20-10-8-15-5-1-2-6-16(15)11-20/h1-7,9,18,21H,8,10-14H2
InChIKeyYSGGELQGLZVDRW-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.02
Rot. Bonds6

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

1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyridin-2-ylmethoxy)propan-2-ol (PubChem CID 90248322) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyridin-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyridin-2-ylmethoxy)propan-2-ol
PubChem CID90248322
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyridin-2-ylmethoxy)propan-2-ol
SMILESOC(COCc1ccccn1)CN1CCc2ccccc2C1
InChIInChI=1S/C18H22N2O2/c21-18(14-22-13-17-7-3-4-9-19-17)12-20-10-8-15-5-1-2-6-16(15)11-20/h1-7,9,18,21H,8,10-14H2
InChIKeyYSGGELQGLZVDRW-UHFFFAOYSA-N
XLogP2.02
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.02
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-(pyridin-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyridin-2-ylmethoxy)propan-2-ol (CID 90248322) is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyridin-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyridin-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyridin-2-ylmethoxy)propan-2-ol is OC(COCc1ccccn1)CN1CCc2ccccc2C1.
What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyridin-2-ylmethoxy)propan-2-ol?
The InChIKey is YSGGELQGLZVDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c21-18(14-22-13-17-7-3-4-9-19-17)12-20-10-8-15-5-1-2-6-16(15)11-20/h1-7,9,18,21H,8,10-14H2.
What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyridin-2-ylmethoxy)propan-2-ol?
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyridin-2-ylmethoxy)propan-2-ol has a molecular weight of 298.39 g/mol, XLogP of 2.02, 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-(pyridin-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 90248322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).