(4-hydroxy-7-phenoxyisoquinolin-3-yl)-morpholin-4-ylmethanone

C20H18N2O4 — CID 156896926

IUPAC(4-hydroxy-7-phenoxyisoquinolin-3-yl)-morpholin-4-ylmethanone
SMILESO=C(c1ncc2cc(Oc3ccccc3)ccc2c1O)N1CCOCC1
InChIInChI=1S/C20H18N2O4/c23-19-17-7-6-16(26-15-4-2-1-3-5-15)12-14(17)13-21-18(19)20(24)22-8-10-25-11-9-22/h1-7,12-13,23H,8-11H2
InChIKeyUTWUVPZPOVCYKV-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.21
Rot. Bonds3

About (4-hydroxy-7-phenoxyisoquinolin-3-yl)-morpholin-4-ylmethanone

(4-hydroxy-7-phenoxyisoquinolin-3-yl)-morpholin-4-ylmethanone (PubChem CID 156896926) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is (4-hydroxy-7-phenoxyisoquinolin-3-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-hydroxy-7-phenoxyisoquinolin-3-yl)-morpholin-4-ylmethanone
PubChem CID156896926
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name(4-hydroxy-7-phenoxyisoquinolin-3-yl)-morpholin-4-ylmethanone
SMILESO=C(c1ncc2cc(Oc3ccccc3)ccc2c1O)N1CCOCC1
InChIInChI=1S/C20H18N2O4/c23-19-17-7-6-16(26-15-4-2-1-3-5-15)12-14(17)13-21-18(19)20(24)22-8-10-25-11-9-22/h1-7,12-13,23H,8-11H2
InChIKeyUTWUVPZPOVCYKV-UHFFFAOYSA-N
XLogP3.21
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-7-phenoxyisoquinolin-3-yl)-morpholin-4-ylmethanone?
The IUPAC name of (4-hydroxy-7-phenoxyisoquinolin-3-yl)-morpholin-4-ylmethanone (CID 156896926) is (4-hydroxy-7-phenoxyisoquinolin-3-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-hydroxy-7-phenoxyisoquinolin-3-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-hydroxy-7-phenoxyisoquinolin-3-yl)-morpholin-4-ylmethanone is O=C(c1ncc2cc(Oc3ccccc3)ccc2c1O)N1CCOCC1.
What is the InChIKey of (4-hydroxy-7-phenoxyisoquinolin-3-yl)-morpholin-4-ylmethanone?
The InChIKey is UTWUVPZPOVCYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c23-19-17-7-6-16(26-15-4-2-1-3-5-15)12-14(17)13-21-18(19)20(24)22-8-10-25-11-9-22/h1-7,12-13,23H,8-11H2.
What are the key properties of (4-hydroxy-7-phenoxyisoquinolin-3-yl)-morpholin-4-ylmethanone?
(4-hydroxy-7-phenoxyisoquinolin-3-yl)-morpholin-4-ylmethanone has a molecular weight of 350.37 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-7-phenoxyisoquinolin-3-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 156896926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).