(4-hydroxyisoquinolin-3-yl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone

C16H14N4O4 — CID 167825982

IUPAC(4-hydroxyisoquinolin-3-yl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
SMILESO=C(c1ncc2ccccc2c1O)N1CCOCC1c1ncon1
InChIInChI=1S/C16H14N4O4/c21-14-11-4-2-1-3-10(11)7-17-13(14)16(22)20-5-6-23-8-12(20)15-18-9-24-19-15/h1-4,7,9,12,21H,5-6,8H2
InChIKeyQBRGGZVOMCONSK-UHFFFAOYSA-N
MW326.31 g/mol
LogP1.54
Rot. Bonds2

About (4-hydroxyisoquinolin-3-yl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone

(4-hydroxyisoquinolin-3-yl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone (PubChem CID 167825982) has the molecular formula C16H14N4O4 and a molecular weight of 326.31 g/mol. Its IUPAC name is (4-hydroxyisoquinolin-3-yl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-hydroxyisoquinolin-3-yl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
PubChem CID167825982
Molecular FormulaC16H14N4O4
Molecular Weight326.31 g/mol
Exact Mass326.10
IUPAC Name(4-hydroxyisoquinolin-3-yl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
SMILESO=C(c1ncc2ccccc2c1O)N1CCOCC1c1ncon1
InChIInChI=1S/C16H14N4O4/c21-14-11-4-2-1-3-10(11)7-17-13(14)16(22)20-5-6-23-8-12(20)15-18-9-24-19-15/h1-4,7,9,12,21H,5-6,8H2
InChIKeyQBRGGZVOMCONSK-UHFFFAOYSA-N
XLogP1.54
TPSA101.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2-cyclopropylquinolin-4-yl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 75470596
2-naphthalen-2-yloxy-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone
CID 97331604
(6-methoxy-3-pyridinyl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 127772368
(3-bromo-2-methylphenyl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 75470568
3-indol-1-yl-1-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one
CID 75470511
[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]-(4-phenoxy-2-pyridinyl)methanone
CID 97341023
[4-(difluoromethylsulfanyl)phenyl]-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 75470522
2-(cyclopropylmethoxy)-1-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone
CID 127772425
(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 97331532
(5-bromo-1H-indol-2-yl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 75470517
[2-(2-methylpropyl)-1,3-thiazol-4-yl]-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 124744411
2-(4-methylphenyl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone
CID 97252445

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyisoquinolin-3-yl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
The IUPAC name of (4-hydroxyisoquinolin-3-yl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone (CID 167825982) is (4-hydroxyisoquinolin-3-yl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (4-hydroxyisoquinolin-3-yl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
The canonical SMILES for (4-hydroxyisoquinolin-3-yl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone is O=C(c1ncc2ccccc2c1O)N1CCOCC1c1ncon1.
What is the InChIKey of (4-hydroxyisoquinolin-3-yl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
The InChIKey is QBRGGZVOMCONSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O4/c21-14-11-4-2-1-3-10(11)7-17-13(14)16(22)20-5-6-23-8-12(20)15-18-9-24-19-15/h1-4,7,9,12,21H,5-6,8H2.
What are the key properties of (4-hydroxyisoquinolin-3-yl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
(4-hydroxyisoquinolin-3-yl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone has a molecular weight of 326.31 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyisoquinolin-3-yl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 167825982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).