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143503-03-1 molecular structure
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1-[4-(5,6-dimethoxy-1-oxo-2,3-dihydro-1H-isoindol-2-yl)phenyl]-2,5-dihydro-1H-pyrrole-2,5-dione

ChemBase ID: 155892
Molecular Formular: C20H16N2O5
Molecular Mass: 364.35144
Monoisotopic Mass: 364.10592162
SMILES and InChIs

SMILES:
COc1cc2c(cc1OC)C(=O)N(C2)c1ccc(cc1)N1C(=O)C=CC1=O
Canonical SMILES:
COc1cc2c(cc1OC)CN(C2=O)c1ccc(cc1)N1C(=O)C=CC1=O
InChI:
InChI=1S/C20H16N2O5/c1-26-16-9-12-11-21(20(25)15(12)10-17(16)27-2)13-3-5-14(6-4-13)22-18(23)7-8-19(22)24/h3-10H,11H2,1-2H3
InChIKey:
ISCHQGBNSNVWCQ-UHFFFAOYSA-N

Cite this record

CBID:155892 http://www.chembase.cn/molecule-155892.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[4-(5,6-dimethoxy-1-oxo-2,3-dihydro-1H-isoindol-2-yl)phenyl]-2,5-dihydro-1H-pyrrole-2,5-dione
IUPAC Traditional name
1-[4-(5,6-dimethoxy-1-oxo-3H-isoindol-2-yl)phenyl]pyrrole-2,5-dione
Synonyms
DPM
N-[4-(5,6-Dimethoxy-N-phthalimidinyl)phenyl]maleimide
CAS Number
143503-03-1
PubChem SID
162250030
PubChem CID
3344037

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
38216 external link Add to cart Please log in.
Data Source Data ID
PubChem 3344037 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.466867  H Acceptors
H Donor LogD (pH = 5.5) 1.6375663 
LogD (pH = 7.4) 1.6375672  Log P 1.6375673 
Molar Refractivity 98.1561 cm3 Polarizability 36.776142 Å3
Polar Surface Area 76.15 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥97.0% (HPLC) expand Show data source
Empirical Formula (Hill Notation)
C20H16N2O5 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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