8-methyl-2,4-diphenylpyrrolo[3,4-c]quinoline-1,3-dione

C24H16N2O2 — CID 71819080

IUPAC8-methyl-2,4-diphenylpyrrolo[3,4-c]quinoline-1,3-dione
SMILESCc1ccc2nc(-c3ccccc3)c3c(c2c1)C(=O)N(c1ccccc1)C3=O
InChIInChI=1S/C24H16N2O2/c1-15-12-13-19-18(14-15)20-21(22(25-19)16-8-4-2-5-9-16)24(28)26(23(20)27)17-10-6-3-7-11-17/h2-14H,1H3
InChIKeyRZCLPBQMHYOCKD-UHFFFAOYSA-N
MW364.40 g/mol
LogP5.01
Rot. Bonds2

About 8-methyl-2,4-diphenylpyrrolo[3,4-c]quinoline-1,3-dione

8-methyl-2,4-diphenylpyrrolo[3,4-c]quinoline-1,3-dione (PubChem CID 71819080) has the molecular formula C24H16N2O2 and a molecular weight of 364.40 g/mol. Its IUPAC name is 8-methyl-2,4-diphenylpyrrolo[3,4-c]quinoline-1,3-dione.

Molecular Properties

Compound Name8-methyl-2,4-diphenylpyrrolo[3,4-c]quinoline-1,3-dione
PubChem CID71819080
Molecular FormulaC24H16N2O2
Molecular Weight364.40 g/mol
Exact Mass364.12
IUPAC Name8-methyl-2,4-diphenylpyrrolo[3,4-c]quinoline-1,3-dione
SMILESCc1ccc2nc(-c3ccccc3)c3c(c2c1)C(=O)N(c1ccccc1)C3=O
InChIInChI=1S/C24H16N2O2/c1-15-12-13-19-18(14-15)20-21(22(25-19)16-8-4-2-5-9-16)24(28)26(23(20)27)17-10-6-3-7-11-17/h2-14H,1H3
InChIKeyRZCLPBQMHYOCKD-UHFFFAOYSA-N
XLogP5.01
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.40
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2,4-diphenylpyrrolo[3,4-c]quinoline-1,3-dione?
The IUPAC name of 8-methyl-2,4-diphenylpyrrolo[3,4-c]quinoline-1,3-dione (CID 71819080) is 8-methyl-2,4-diphenylpyrrolo[3,4-c]quinoline-1,3-dione.
What is the SMILES notation for 8-methyl-2,4-diphenylpyrrolo[3,4-c]quinoline-1,3-dione?
The canonical SMILES for 8-methyl-2,4-diphenylpyrrolo[3,4-c]quinoline-1,3-dione is Cc1ccc2nc(-c3ccccc3)c3c(c2c1)C(=O)N(c1ccccc1)C3=O.
What is the InChIKey of 8-methyl-2,4-diphenylpyrrolo[3,4-c]quinoline-1,3-dione?
The InChIKey is RZCLPBQMHYOCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2O2/c1-15-12-13-19-18(14-15)20-21(22(25-19)16-8-4-2-5-9-16)24(28)26(23(20)27)17-10-6-3-7-11-17/h2-14H,1H3.
What are the key properties of 8-methyl-2,4-diphenylpyrrolo[3,4-c]quinoline-1,3-dione?
8-methyl-2,4-diphenylpyrrolo[3,4-c]quinoline-1,3-dione has a molecular weight of 364.40 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2,4-diphenylpyrrolo[3,4-c]quinoline-1,3-dione is sourced from PubChem (CID 71819080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).