6-methyl-2-(4-methylphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

C18H12N2O4 — CID 22949757

IUPAC6-methyl-2-(4-methylphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCc1ccc(-n2c(=O)c3cc4c(=O)n(C)c(=O)c4cc3c2=O)cc1
InChIInChI=1S/C18H12N2O4/c1-9-3-5-10(6-4-9)20-17(23)13-7-11-12(8-14(13)18(20)24)16(22)19(2)15(11)21/h3-8H,1-2H3
InChIKeyOWDFFACCIGSTDA-UHFFFAOYSA-N
MW320.30 g/mol
LogP0.75
Rot. Bonds1

About 6-methyl-2-(4-methylphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

6-methyl-2-(4-methylphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (PubChem CID 22949757) has the molecular formula C18H12N2O4 and a molecular weight of 320.30 g/mol. Its IUPAC name is 6-methyl-2-(4-methylphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.

Molecular Properties

Compound Name6-methyl-2-(4-methylphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
PubChem CID22949757
Molecular FormulaC18H12N2O4
Molecular Weight320.30 g/mol
Exact Mass320.08
IUPAC Name6-methyl-2-(4-methylphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCc1ccc(-n2c(=O)c3cc4c(=O)n(C)c(=O)c4cc3c2=O)cc1
InChIInChI=1S/C18H12N2O4/c1-9-3-5-10(6-4-9)20-17(23)13-7-11-12(8-14(13)18(20)24)16(22)19(2)15(11)21/h3-8H,1-2H3
InChIKeyOWDFFACCIGSTDA-UHFFFAOYSA-N
XLogP0.75
TPSA78.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-methylphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The IUPAC name of 6-methyl-2-(4-methylphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (CID 22949757) is 6-methyl-2-(4-methylphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.
What is the SMILES notation for 6-methyl-2-(4-methylphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The canonical SMILES for 6-methyl-2-(4-methylphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is Cc1ccc(-n2c(=O)c3cc4c(=O)n(C)c(=O)c4cc3c2=O)cc1.
What is the InChIKey of 6-methyl-2-(4-methylphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The InChIKey is OWDFFACCIGSTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O4/c1-9-3-5-10(6-4-9)20-17(23)13-7-11-12(8-14(13)18(20)24)16(22)19(2)15(11)21/h3-8H,1-2H3.
What are the key properties of 6-methyl-2-(4-methylphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
6-methyl-2-(4-methylphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone has a molecular weight of 320.30 g/mol, XLogP of 0.75, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-methylphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is sourced from PubChem (CID 22949757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).