1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]propan-2-ol

C24H32N2O3 — CID 90335089

IUPAC1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]propan-2-ol
SMILESOC(COCc1ccc(CN2CCOCC2)cc1)CN1CCc2ccccc2C1
InChIInChI=1S/C24H32N2O3/c27-24(17-26-10-9-22-3-1-2-4-23(22)16-26)19-29-18-21-7-5-20(6-8-21)15-25-11-13-28-14-12-25/h1-8,24,27H,9-19H2
InChIKeyUQYISVCDHZMSNO-UHFFFAOYSA-N
MW396.53 g/mol
LogP2.45
Rot. Bonds8

About 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]propan-2-ol

1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]propan-2-ol (PubChem CID 90335089) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]propan-2-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]propan-2-ol
PubChem CID90335089
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]propan-2-ol
SMILESOC(COCc1ccc(CN2CCOCC2)cc1)CN1CCc2ccccc2C1
InChIInChI=1S/C24H32N2O3/c27-24(17-26-10-9-22-3-1-2-4-23(22)16-26)19-29-18-21-7-5-20(6-8-21)15-25-11-13-28-14-12-25/h1-8,24,27H,9-19H2
InChIKeyUQYISVCDHZMSNO-UHFFFAOYSA-N
XLogP2.45
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]propan-2-ol?
The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]propan-2-ol (CID 90335089) is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]propan-2-ol.
What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]propan-2-ol?
The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]propan-2-ol is OC(COCc1ccc(CN2CCOCC2)cc1)CN1CCc2ccccc2C1.
What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]propan-2-ol?
The InChIKey is UQYISVCDHZMSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c27-24(17-26-10-9-22-3-1-2-4-23(22)16-26)19-29-18-21-7-5-20(6-8-21)15-25-11-13-28-14-12-25/h1-8,24,27H,9-19H2.
What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]propan-2-ol?
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]propan-2-ol has a molecular weight of 396.53 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]propan-2-ol is sourced from PubChem (CID 90335089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).