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

C22H14N4O4 — CID 1105842

IUPAC2,6-bis(4-methyl-2-pyridinyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCc1ccnc(-n2c(=O)c3cc4c(=O)n(-c5cc(C)ccn5)c(=O)c4cc3c2=O)c1
InChIInChI=1S/C22H14N4O4/c1-11-3-5-23-17(7-11)25-19(27)13-9-15-16(10-14(13)20(25)28)22(30)26(21(15)29)18-8-12(2)4-6-24-18/h3-10H,1-2H3
InChIKeySXDOXXTZKCOGOK-UHFFFAOYSA-N
MW398.38 g/mol
LogP1.30
Rot. Bonds2

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

2,6-bis(4-methyl-2-pyridinyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (PubChem CID 1105842) has the molecular formula C22H14N4O4 and a molecular weight of 398.38 g/mol. Its IUPAC name is 2,6-bis(4-methyl-2-pyridinyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.

Molecular Properties

Compound Name2,6-bis(4-methyl-2-pyridinyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
PubChem CID1105842
Molecular FormulaC22H14N4O4
Molecular Weight398.38 g/mol
Exact Mass398.10
IUPAC Name2,6-bis(4-methyl-2-pyridinyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCc1ccnc(-n2c(=O)c3cc4c(=O)n(-c5cc(C)ccn5)c(=O)c4cc3c2=O)c1
InChIInChI=1S/C22H14N4O4/c1-11-3-5-23-17(7-11)25-19(27)13-9-15-16(10-14(13)20(25)28)22(30)26(21(15)29)18-8-12(2)4-6-24-18/h3-10H,1-2H3
InChIKeySXDOXXTZKCOGOK-UHFFFAOYSA-N
XLogP1.30
TPSA103.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-methyl-2-pyridinyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The IUPAC name of 2,6-bis(4-methyl-2-pyridinyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (CID 1105842) is 2,6-bis(4-methyl-2-pyridinyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.
What is the SMILES notation for 2,6-bis(4-methyl-2-pyridinyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The canonical SMILES for 2,6-bis(4-methyl-2-pyridinyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is Cc1ccnc(-n2c(=O)c3cc4c(=O)n(-c5cc(C)ccn5)c(=O)c4cc3c2=O)c1.
What is the InChIKey of 2,6-bis(4-methyl-2-pyridinyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The InChIKey is SXDOXXTZKCOGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4O4/c1-11-3-5-23-17(7-11)25-19(27)13-9-15-16(10-14(13)20(25)28)22(30)26(21(15)29)18-8-12(2)4-6-24-18/h3-10H,1-2H3.
What are the key properties of 2,6-bis(4-methyl-2-pyridinyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
2,6-bis(4-methyl-2-pyridinyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone has a molecular weight of 398.38 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-methyl-2-pyridinyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is sourced from PubChem (CID 1105842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).