2-[(4-pyridin-2-yloxyphenyl)methyl]isoindole-1,3-dione

C20H14N2O3 — CID 58801143

IUPAC2-[(4-pyridin-2-yloxyphenyl)methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1ccc(Oc2ccccn2)cc1
InChIInChI=1S/C20H14N2O3/c23-19-16-5-1-2-6-17(16)20(24)22(19)13-14-8-10-15(11-9-14)25-18-7-3-4-12-21-18/h1-12H,13H2
InChIKeyMQGYOVVGSGRQON-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.67
Rot. Bonds4

About 2-[(4-pyridin-2-yloxyphenyl)methyl]isoindole-1,3-dione

2-[(4-pyridin-2-yloxyphenyl)methyl]isoindole-1,3-dione (PubChem CID 58801143) has the molecular formula C20H14N2O3 and a molecular weight of 330.34 g/mol. Its IUPAC name is 2-[(4-pyridin-2-yloxyphenyl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(4-pyridin-2-yloxyphenyl)methyl]isoindole-1,3-dione
PubChem CID58801143
Molecular FormulaC20H14N2O3
Molecular Weight330.34 g/mol
Exact Mass330.10
IUPAC Name2-[(4-pyridin-2-yloxyphenyl)methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1ccc(Oc2ccccn2)cc1
InChIInChI=1S/C20H14N2O3/c23-19-16-5-1-2-6-17(16)20(24)22(19)13-14-8-10-15(11-9-14)25-18-7-3-4-12-21-18/h1-12H,13H2
InChIKeyMQGYOVVGSGRQON-UHFFFAOYSA-N
XLogP3.67
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[(4-phenylphenyl)methyl]-5-pyridin-2-yloxyindole-2,3-dione
CID 52947760
2-[(4-phenylphenyl)methyl]isoindole-1,3-dione
CID 7663732
2-[4-(2-chloro-2-nitrosoethyl)phenoxy]pyridine
CID 90870284
2-[[4-(4-chlorobut-2-ynoxy)phenyl]methyl]isoindole-1,3-dione
CID 53406474
2-[(4-fluorophenyl)methyl]isoindole-1,3-dione
CID 2774444
3-(1,3-dioxoisoindol-2-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide
CID 90596248
2-(imidazo[1,2-a]pyridin-6-ylmethyl)isoindole-1,3-dione
CID 75365546
2-(quinolin-6-ylmethyl)isoindole-1,3-dione
CID 23079294
(4E)-4-[(E)-2-bromobut-2-enylidene]-3-propan-2-ylidene-1-[(4-pyridin-2-yloxyphenyl)methyl]pyrrolidin-2-one
CID 143187646
2-methyl-N-[(4-pyridin-2-yloxyphenyl)methyl]propan-2-amine
CID 71120055
2-[4-(2-pyrrolidin-1-ylethyl)phenoxy]pyridine
CID 141236545
3-methyl-1-[(4-methylphenyl)methyl]-6-(4-pyridin-2-yloxyanilino)-1,3,5-triazine-2,4-dione
CID 130320492

Frequently Asked Questions

What is the IUPAC name of 2-[(4-pyridin-2-yloxyphenyl)methyl]isoindole-1,3-dione?
The IUPAC name of 2-[(4-pyridin-2-yloxyphenyl)methyl]isoindole-1,3-dione (CID 58801143) is 2-[(4-pyridin-2-yloxyphenyl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(4-pyridin-2-yloxyphenyl)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(4-pyridin-2-yloxyphenyl)methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1ccc(Oc2ccccn2)cc1.
What is the InChIKey of 2-[(4-pyridin-2-yloxyphenyl)methyl]isoindole-1,3-dione?
The InChIKey is MQGYOVVGSGRQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3/c23-19-16-5-1-2-6-17(16)20(24)22(19)13-14-8-10-15(11-9-14)25-18-7-3-4-12-21-18/h1-12H,13H2.
What are the key properties of 2-[(4-pyridin-2-yloxyphenyl)methyl]isoindole-1,3-dione?
2-[(4-pyridin-2-yloxyphenyl)methyl]isoindole-1,3-dione has a molecular weight of 330.34 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-pyridin-2-yloxyphenyl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 58801143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).