6-(5-chloro-2-methoxyphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione

C13H8ClN3O3 — CID 20866768

IUPAC6-(5-chloro-2-methoxyphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione
SMILESCOc1ccc(Cl)cc1N1C(=O)c2nccnc2C1=O
InChIInChI=1S/C13H8ClN3O3/c1-20-9-3-2-7(14)6-8(9)17-12(18)10-11(13(17)19)16-5-4-15-10/h2-6H,1H3
InChIKeyPUCIEHOKUOGLMS-UHFFFAOYSA-N
MW289.68 g/mol
LogP1.94
Rot. Bonds2

About 6-(5-chloro-2-methoxyphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione

6-(5-chloro-2-methoxyphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione (PubChem CID 20866768) has the molecular formula C13H8ClN3O3 and a molecular weight of 289.68 g/mol. Its IUPAC name is 6-(5-chloro-2-methoxyphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione.

Molecular Properties

Compound Name6-(5-chloro-2-methoxyphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione
PubChem CID20866768
Molecular FormulaC13H8ClN3O3
Molecular Weight289.68 g/mol
Exact Mass289.03
IUPAC Name6-(5-chloro-2-methoxyphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione
SMILESCOc1ccc(Cl)cc1N1C(=O)c2nccnc2C1=O
InChIInChI=1S/C13H8ClN3O3/c1-20-9-3-2-7(14)6-8(9)17-12(18)10-11(13(17)19)16-5-4-15-10/h2-6H,1H3
InChIKeyPUCIEHOKUOGLMS-UHFFFAOYSA-N
XLogP1.94
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.68
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-1-(5-chloro-2-methoxyphenyl)-4-(2,4-dichlorophenyl)pyrrole-2,5-dione
CID 110584016
3-(5-chloro-2-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one
CID 43995729
3-chloro-4-(5-chloro-2-methoxyanilino)-1-(5-chloro-2-methoxyphenyl)pyrrole-2,5-dione
CID 1180622
2-(5-chloro-2-methoxyphenyl)-4-methylpyrrolo[3,4-c]quinoline-1,3-dione
CID 22422590
(1S,2S,6R,7S)-4-(5-chloro-2-methoxyphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 23309455
2-bromo-1-(5-chloro-2-methoxyphenyl)imidazole
CID 82134882
1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110571137
6-(2-methoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 699158
1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110571146
1-(5-chloro-2-methoxyphenyl)-3-phenyl-4-propan-2-ylsulfanylpyrrole-2,5-dione
CID 110561632
(1S,2S,6R,7R)-4-(5-chloro-2-methoxyphenyl)spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 1309360
(1S,2R,6S,7S)-4-(5-chloro-2-methoxyphenyl)spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 98093300

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-methoxyphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione?
The IUPAC name of 6-(5-chloro-2-methoxyphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione (CID 20866768) is 6-(5-chloro-2-methoxyphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione.
What is the SMILES notation for 6-(5-chloro-2-methoxyphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione?
The canonical SMILES for 6-(5-chloro-2-methoxyphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione is COc1ccc(Cl)cc1N1C(=O)c2nccnc2C1=O.
What is the InChIKey of 6-(5-chloro-2-methoxyphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione?
The InChIKey is PUCIEHOKUOGLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O3/c1-20-9-3-2-7(14)6-8(9)17-12(18)10-11(13(17)19)16-5-4-15-10/h2-6H,1H3.
What are the key properties of 6-(5-chloro-2-methoxyphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione?
6-(5-chloro-2-methoxyphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione has a molecular weight of 289.68 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-methoxyphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione is sourced from PubChem (CID 20866768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).