4-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydroisoindol-1-one

C17H17N3O2 — CID 175996415

IUPAC4-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2c1cccc2-c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C17H17N3O2/c21-17-14-3-1-2-13(15(14)11-19-17)12-4-5-16(18-10-12)20-6-8-22-9-7-20/h1-5,10H,6-9,11H2,(H,19,21)
InChIKeyXFKHDQUINFMOQQ-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.83
Rot. Bonds2

About 4-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydroisoindol-1-one

4-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydroisoindol-1-one (PubChem CID 175996415) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name4-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydroisoindol-1-one
PubChem CID175996415
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name4-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2c1cccc2-c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C17H17N3O2/c21-17-14-3-1-2-13(15(14)11-19-17)12-4-5-16(18-10-12)20-6-8-22-9-7-20/h1-5,10H,6-9,11H2,(H,19,21)
InChIKeyXFKHDQUINFMOQQ-UHFFFAOYSA-N
XLogP1.83
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-pyridin-4-yl-2-pyridinyl)morpholine
CID 10377044
4-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]morpholine
CID 58507795
4-(furan-3-yl)-2,3-dihydroisoindol-1-one
CID 175996463
4-(4-chlorophenyl)-2,3-dihydroisoindol-1-one
CID 172769018
ethane;1-(6-morpholin-4-yl-3-pyridinyl)ethanone
CID 145421407
4-[5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]morpholine
CID 122694161
3-(1,3-dihydroisoindol-2-yl)-5-(6-morpholin-4-yl-3-pyridinyl)pyrazin-2-amine
CID 90435597
7-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-dihydroindol-2-one
CID 154768125
6-morpholin-4-ylpyridine-3-thiol
CID 123169519
5-(6-morpholin-4-yl-3-pyridinyl)-N-phenylpyridine-3-carboxamide
CID 117089330
2-(6-morpholin-4-ylpyrimidin-4-yl)-4-pyridin-3-yl-1H-pyrazol-3-one
CID 24794806
N-[4-(6-morpholin-4-yl-3-pyridinyl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 24947167

Frequently Asked Questions

What is the IUPAC name of 4-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydroisoindol-1-one?
The IUPAC name of 4-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydroisoindol-1-one (CID 175996415) is 4-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 4-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydroisoindol-1-one?
The canonical SMILES for 4-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydroisoindol-1-one is O=C1NCc2c1cccc2-c1ccc(N2CCOCC2)nc1.
What is the InChIKey of 4-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydroisoindol-1-one?
The InChIKey is XFKHDQUINFMOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c21-17-14-3-1-2-13(15(14)11-19-17)12-4-5-16(18-10-12)20-6-8-22-9-7-20/h1-5,10H,6-9,11H2,(H,19,21).
What are the key properties of 4-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydroisoindol-1-one?
4-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydroisoindol-1-one has a molecular weight of 295.34 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 175996415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).