4-amino-2-(4-methoxyphenyl)isoindole-1,3-dione

C15H12N2O3 — CID 3092594

IUPAC4-amino-2-(4-methoxyphenyl)isoindole-1,3-dione
SMILESCOc1ccc(N2C(=O)c3cccc(N)c3C2=O)cc1
InChIInChI=1S/C15H12N2O3/c1-20-10-7-5-9(6-8-10)17-14(18)11-3-2-4-12(16)13(11)15(17)19/h2-8H,16H2,1H3
InChIKeyXBGLLVCCCXWBSO-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.08
Rot. Bonds2

About 4-amino-2-(4-methoxyphenyl)isoindole-1,3-dione

4-amino-2-(4-methoxyphenyl)isoindole-1,3-dione (PubChem CID 3092594) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 4-amino-2-(4-methoxyphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-amino-2-(4-methoxyphenyl)isoindole-1,3-dione
PubChem CID3092594
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name4-amino-2-(4-methoxyphenyl)isoindole-1,3-dione
SMILESCOc1ccc(N2C(=O)c3cccc(N)c3C2=O)cc1
InChIInChI=1S/C15H12N2O3/c1-20-10-7-5-9(6-8-10)17-14(18)11-3-2-4-12(16)13(11)15(17)19/h2-8H,16H2,1H3
InChIKeyXBGLLVCCCXWBSO-UHFFFAOYSA-N
XLogP2.08
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-(4-iodophenyl)isoindole-1,3-dione
CID 28976688
2-[4-(4-methoxyphenyl)phenyl]isoindole-1,3-dione
CID 123891314
2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]isoindole-1,3-dione
CID 44537911
[3-(4-amino-1,3-dioxoisoindol-2-yl)phenyl] acetate
CID 703427
4-amino-2-(3-amino-4-fluorophenyl)isoindole-1,3-dione
CID 139787302
4-amino-2-(4-bromo-3-methylphenyl)isoindole-1,3-dione
CID 23825763
4-amino-2-pyrimidin-5-ylisoindole-1,3-dione
CID 107588970
4-amino-2-(4-amino-2-methoxyphenyl)isoindole-1,3-dione
CID 139787318
4-methyl-2-phenylisoindole-1,3-dione
CID 12746962
4-(2,7-dimethoxycarbazol-9-yl)-2-phenylisoindole-1,3-dione
CID 118972432
4-amino-2-(2,6-diethylphenyl)isoindole-1,3-dione
CID 70493572
4-amino-2-[(3-methoxyphenyl)methyl]isoindole-1,3-dione
CID 850937

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-methoxyphenyl)isoindole-1,3-dione?
The IUPAC name of 4-amino-2-(4-methoxyphenyl)isoindole-1,3-dione (CID 3092594) is 4-amino-2-(4-methoxyphenyl)isoindole-1,3-dione.
What is the SMILES notation for 4-amino-2-(4-methoxyphenyl)isoindole-1,3-dione?
The canonical SMILES for 4-amino-2-(4-methoxyphenyl)isoindole-1,3-dione is COc1ccc(N2C(=O)c3cccc(N)c3C2=O)cc1.
What is the InChIKey of 4-amino-2-(4-methoxyphenyl)isoindole-1,3-dione?
The InChIKey is XBGLLVCCCXWBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-20-10-7-5-9(6-8-10)17-14(18)11-3-2-4-12(16)13(11)15(17)19/h2-8H,16H2,1H3.
What are the key properties of 4-amino-2-(4-methoxyphenyl)isoindole-1,3-dione?
4-amino-2-(4-methoxyphenyl)isoindole-1,3-dione has a molecular weight of 268.27 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-methoxyphenyl)isoindole-1,3-dione is sourced from PubChem (CID 3092594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).