2-(3,5-dimethylphenyl)-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

C19H14N2O4 — CID 59705832

IUPAC2-(3,5-dimethylphenyl)-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCc1cc(C)cc(-n2c(=O)c3cc4c(=O)n(C)c(=O)c4cc3c2=O)c1
InChIInChI=1S/C19H14N2O4/c1-9-4-10(2)6-11(5-9)21-18(24)14-7-12-13(8-15(14)19(21)25)17(23)20(3)16(12)22/h4-8H,1-3H3
InChIKeyKNQCAPKLNCLVEG-UHFFFAOYSA-N
MW334.33 g/mol
LogP1.06
Rot. Bonds1

About 2-(3,5-dimethylphenyl)-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

2-(3,5-dimethylphenyl)-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (PubChem CID 59705832) has the molecular formula C19H14N2O4 and a molecular weight of 334.33 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
PubChem CID59705832
Molecular FormulaC19H14N2O4
Molecular Weight334.33 g/mol
Exact Mass334.10
IUPAC Name2-(3,5-dimethylphenyl)-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCc1cc(C)cc(-n2c(=O)c3cc4c(=O)n(C)c(=O)c4cc3c2=O)c1
InChIInChI=1S/C19H14N2O4/c1-9-4-10(2)6-11(5-9)21-18(24)14-7-12-13(8-15(14)19(21)25)17(23)20(3)16(12)22/h4-8H,1-3H3
InChIKeyKNQCAPKLNCLVEG-UHFFFAOYSA-N
XLogP1.06
TPSA78.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The IUPAC name of 2-(3,5-dimethylphenyl)-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (CID 59705832) is 2-(3,5-dimethylphenyl)-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The canonical SMILES for 2-(3,5-dimethylphenyl)-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is Cc1cc(C)cc(-n2c(=O)c3cc4c(=O)n(C)c(=O)c4cc3c2=O)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The InChIKey is KNQCAPKLNCLVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4/c1-9-4-10(2)6-11(5-9)21-18(24)14-7-12-13(8-15(14)19(21)25)17(23)20(3)16(12)22/h4-8H,1-3H3.
What are the key properties of 2-(3,5-dimethylphenyl)-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
2-(3,5-dimethylphenyl)-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone has a molecular weight of 334.33 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is sourced from PubChem (CID 59705832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).