3-[2-[(3-oxoisoindol-1-ylidene)amino]phenyl]iminoisoindol-1-one

C22H14N4O2 — CID 135996475

IUPAC3-[2-[(3-oxoisoindol-1-ylidene)amino]phenyl]iminoisoindol-1-one
SMILESO=C1N/C(=N\c2ccccc2/N=C2/NC(=O)c3ccccc32)c2ccccc21
InChIInChI=1S/C22H14N4O2/c27-21-15-9-3-1-7-13(15)19(25-21)23-17-11-5-6-12-18(17)24-20-14-8-2-4-10-16(14)22(28)26-20/h1-12H,(H,23,25,27)(H,24,26,28)
InChIKeyKOUNRNYKEIOWOO-UHFFFAOYSA-N
MW366.38 g/mol
LogP3.33
Rot. Bonds2

About 3-[2-[(3-oxoisoindol-1-ylidene)amino]phenyl]iminoisoindol-1-one

3-[2-[(3-oxoisoindol-1-ylidene)amino]phenyl]iminoisoindol-1-one (PubChem CID 135996475) has the molecular formula C22H14N4O2 and a molecular weight of 366.38 g/mol. Its IUPAC name is 3-[2-[(3-oxoisoindol-1-ylidene)amino]phenyl]iminoisoindol-1-one.

Molecular Properties

Compound Name3-[2-[(3-oxoisoindol-1-ylidene)amino]phenyl]iminoisoindol-1-one
PubChem CID135996475
Molecular FormulaC22H14N4O2
Molecular Weight366.38 g/mol
Exact Mass366.11
IUPAC Name3-[2-[(3-oxoisoindol-1-ylidene)amino]phenyl]iminoisoindol-1-one
SMILESO=C1N/C(=N\c2ccccc2/N=C2/NC(=O)c3ccccc32)c2ccccc21
InChIInChI=1S/C22H14N4O2/c27-21-15-9-3-1-7-13(15)19(25-21)23-17-11-5-6-12-18(17)24-20-14-8-2-4-10-16(14)22(28)26-20/h1-12H,(H,23,25,27)(H,24,26,28)
InChIKeyKOUNRNYKEIOWOO-UHFFFAOYSA-N
XLogP3.33
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[2-(hydroxymethyl)phenyl]iminoisoindol-1-one
CID 137288254
3-(4-methylphenyl)iminoisoindol-1-one
CID 135932532
(3E)-3-pyridin-2-yliminoisoindol-1-one
CID 177451403
(3Z)-3-[[6-[6-[(Z)-(3-oxoisoindol-1-ylidene)amino]-2-pyridinyl]-2-pyridinyl]imino]isoindol-1-one
CID 135961578
CID 158403573
CID 158403573
isoindole-1,3-dione;phosphane
CID 89428738
lithium isoindole-1,3-dione
CID 18764300
hydron;isoindole-1,3-dione
CID 174301362
CID 175168561
CID 175168561
CID 157233017
CID 157233017
dipotassium;hydride;isoindole-1,3-dione
CID 173033461
3-[2-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]imino-1H-indol-2-one
CID 135406079

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3-oxoisoindol-1-ylidene)amino]phenyl]iminoisoindol-1-one?
The IUPAC name of 3-[2-[(3-oxoisoindol-1-ylidene)amino]phenyl]iminoisoindol-1-one (CID 135996475) is 3-[2-[(3-oxoisoindol-1-ylidene)amino]phenyl]iminoisoindol-1-one.
What is the SMILES notation for 3-[2-[(3-oxoisoindol-1-ylidene)amino]phenyl]iminoisoindol-1-one?
The canonical SMILES for 3-[2-[(3-oxoisoindol-1-ylidene)amino]phenyl]iminoisoindol-1-one is O=C1N/C(=N\c2ccccc2/N=C2/NC(=O)c3ccccc32)c2ccccc21.
What is the InChIKey of 3-[2-[(3-oxoisoindol-1-ylidene)amino]phenyl]iminoisoindol-1-one?
The InChIKey is KOUNRNYKEIOWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4O2/c27-21-15-9-3-1-7-13(15)19(25-21)23-17-11-5-6-12-18(17)24-20-14-8-2-4-10-16(14)22(28)26-20/h1-12H,(H,23,25,27)(H,24,26,28).
What are the key properties of 3-[2-[(3-oxoisoindol-1-ylidene)amino]phenyl]iminoisoindol-1-one?
3-[2-[(3-oxoisoindol-1-ylidene)amino]phenyl]iminoisoindol-1-one has a molecular weight of 366.38 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3-oxoisoindol-1-ylidene)amino]phenyl]iminoisoindol-1-one is sourced from PubChem (CID 135996475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).