2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone

C22H23N5O3 — CID 46956752

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone
SMILESO=C(CN1CCc2ccccc2C1)N1CCOC(c2nc(-c3ccncc3)no2)C1
InChIInChI=1S/C22H23N5O3/c28-20(15-26-10-7-16-3-1-2-4-18(16)13-26)27-11-12-29-19(14-27)22-24-21(25-30-22)17-5-8-23-9-6-17/h1-6,8-9,19H,7,10-15H2
InChIKeyRZDDQFJINFEJMJ-UHFFFAOYSA-N
MW405.46 g/mol
LogP2.09
Rot. Bonds4

About 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone

2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone (PubChem CID 46956752) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone
PubChem CID46956752
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone
SMILESO=C(CN1CCc2ccccc2C1)N1CCOC(c2nc(-c3ccncc3)no2)C1
InChIInChI=1S/C22H23N5O3/c28-20(15-26-10-7-16-3-1-2-4-18(16)13-26)27-11-12-29-19(14-27)22-24-21(25-30-22)17-5-8-23-9-6-17/h1-6,8-9,19H,7,10-15H2
InChIKeyRZDDQFJINFEJMJ-UHFFFAOYSA-N
XLogP2.09
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(2S)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 131951057
2-(1,3-dihydroisoindol-2-yl)-1-[(2S)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone
CID 92600443
2-(1,3-dihydroisoindol-2-yl)-1-[(2R)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone
CID 92600444
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(2R)-2-[3-(4-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]ethanone
CID 129360702
[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 110242955
2-(4-fluorophenyl)-1-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone
CID 142778838
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(2R)-2-[6-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]ethanone
CID 124973044
3-(1-methylindol-3-yl)-1-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-1-one
CID 110242946
1-[(2R)-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-2-thiophen-3-ylethanone
CID 92577855
2-(4-tert-butylphenoxy)-1-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone
CID 46956749
(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyridin-3-ylmethyl)morpholine
CID 92575825
1-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 87051841

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone (CID 46956752) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone is O=C(CN1CCc2ccccc2C1)N1CCOC(c2nc(-c3ccncc3)no2)C1.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone?
The InChIKey is RZDDQFJINFEJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c28-20(15-26-10-7-16-3-1-2-4-18(16)13-26)27-11-12-29-19(14-27)22-24-21(25-30-22)17-5-8-23-9-6-17/h1-6,8-9,19H,7,10-15H2.
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone has a molecular weight of 405.46 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone is sourced from PubChem (CID 46956752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).