1-(morpholin-4-ylmethyl)-7-phenoxyisoquinolin-4-ol

C20H20N2O3 — CID 175797878

IUPAC1-(morpholin-4-ylmethyl)-7-phenoxyisoquinolin-4-ol
SMILESOc1cnc(CN2CCOCC2)c2cc(Oc3ccccc3)ccc12
InChIInChI=1S/C20H20N2O3/c23-20-13-21-19(14-22-8-10-24-11-9-22)18-12-16(6-7-17(18)20)25-15-4-2-1-3-5-15/h1-7,12-13,23H,8-11,14H2
InChIKeyLFNIKOTUGKJAAG-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.56
Rot. Bonds4

About 1-(morpholin-4-ylmethyl)-7-phenoxyisoquinolin-4-ol

1-(morpholin-4-ylmethyl)-7-phenoxyisoquinolin-4-ol (PubChem CID 175797878) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 1-(morpholin-4-ylmethyl)-7-phenoxyisoquinolin-4-ol.

Molecular Properties

Compound Name1-(morpholin-4-ylmethyl)-7-phenoxyisoquinolin-4-ol
PubChem CID175797878
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name1-(morpholin-4-ylmethyl)-7-phenoxyisoquinolin-4-ol
SMILESOc1cnc(CN2CCOCC2)c2cc(Oc3ccccc3)ccc12
InChIInChI=1S/C20H20N2O3/c23-20-13-21-19(14-22-8-10-24-11-9-22)18-12-16(6-7-17(18)20)25-15-4-2-1-3-5-15/h1-7,12-13,23H,8-11,14H2
InChIKeyLFNIKOTUGKJAAG-UHFFFAOYSA-N
XLogP3.56
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(morpholin-4-ylmethyl)-7-phenoxyisoquinolin-4-ol?
The IUPAC name of 1-(morpholin-4-ylmethyl)-7-phenoxyisoquinolin-4-ol (CID 175797878) is 1-(morpholin-4-ylmethyl)-7-phenoxyisoquinolin-4-ol.
What is the SMILES notation for 1-(morpholin-4-ylmethyl)-7-phenoxyisoquinolin-4-ol?
The canonical SMILES for 1-(morpholin-4-ylmethyl)-7-phenoxyisoquinolin-4-ol is Oc1cnc(CN2CCOCC2)c2cc(Oc3ccccc3)ccc12.
What is the InChIKey of 1-(morpholin-4-ylmethyl)-7-phenoxyisoquinolin-4-ol?
The InChIKey is LFNIKOTUGKJAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c23-20-13-21-19(14-22-8-10-24-11-9-22)18-12-16(6-7-17(18)20)25-15-4-2-1-3-5-15/h1-7,12-13,23H,8-11,14H2.
What are the key properties of 1-(morpholin-4-ylmethyl)-7-phenoxyisoquinolin-4-ol?
1-(morpholin-4-ylmethyl)-7-phenoxyisoquinolin-4-ol has a molecular weight of 336.39 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(morpholin-4-ylmethyl)-7-phenoxyisoquinolin-4-ol is sourced from PubChem (CID 175797878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).