3-isoquinolin-1-yl-4-(7-methyl-1H-indol-3-yl)pyrrole-2,5-dione

C22H15N3O2 — CID 141401254

IUPAC3-isoquinolin-1-yl-4-(7-methyl-1H-indol-3-yl)pyrrole-2,5-dione
SMILESCc1cccc2c(C3=C(c4nccc5ccccc45)C(=O)NC3=O)c[nH]c12
InChIInChI=1S/C22H15N3O2/c1-12-5-4-8-15-16(11-24-19(12)15)17-18(22(27)25-21(17)26)20-14-7-3-2-6-13(14)9-10-23-20/h2-11,24H,1H3,(H,25,26,27)
InChIKeyAIQZLECHBDCYJX-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.59
Rot. Bonds2

About 3-isoquinolin-1-yl-4-(7-methyl-1H-indol-3-yl)pyrrole-2,5-dione

3-isoquinolin-1-yl-4-(7-methyl-1H-indol-3-yl)pyrrole-2,5-dione (PubChem CID 141401254) has the molecular formula C22H15N3O2 and a molecular weight of 353.38 g/mol. Its IUPAC name is 3-isoquinolin-1-yl-4-(7-methyl-1H-indol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-isoquinolin-1-yl-4-(7-methyl-1H-indol-3-yl)pyrrole-2,5-dione
PubChem CID141401254
Molecular FormulaC22H15N3O2
Molecular Weight353.38 g/mol
Exact Mass353.12
IUPAC Name3-isoquinolin-1-yl-4-(7-methyl-1H-indol-3-yl)pyrrole-2,5-dione
SMILESCc1cccc2c(C3=C(c4nccc5ccccc45)C(=O)NC3=O)c[nH]c12
InChIInChI=1S/C22H15N3O2/c1-12-5-4-8-15-16(11-24-19(12)15)17-18(22(27)25-21(17)26)20-14-7-3-2-6-13(14)9-10-23-20/h2-11,24H,1H3,(H,25,26,27)
InChIKeyAIQZLECHBDCYJX-UHFFFAOYSA-N
XLogP3.59
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.59
H-Bond Donors ≤ 52
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 3-isoquinolin-1-yl-4-(7-methyl-1H-indol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-isoquinolin-1-yl-4-(7-methyl-1H-indol-3-yl)pyrrole-2,5-dione (CID 141401254) is 3-isoquinolin-1-yl-4-(7-methyl-1H-indol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-isoquinolin-1-yl-4-(7-methyl-1H-indol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-isoquinolin-1-yl-4-(7-methyl-1H-indol-3-yl)pyrrole-2,5-dione is Cc1cccc2c(C3=C(c4nccc5ccccc45)C(=O)NC3=O)c[nH]c12.
What is the InChIKey of 3-isoquinolin-1-yl-4-(7-methyl-1H-indol-3-yl)pyrrole-2,5-dione?
The InChIKey is AIQZLECHBDCYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O2/c1-12-5-4-8-15-16(11-24-19(12)15)17-18(22(27)25-21(17)26)20-14-7-3-2-6-13(14)9-10-23-20/h2-11,24H,1H3,(H,25,26,27).
What are the key properties of 3-isoquinolin-1-yl-4-(7-methyl-1H-indol-3-yl)pyrrole-2,5-dione?
3-isoquinolin-1-yl-4-(7-methyl-1H-indol-3-yl)pyrrole-2,5-dione has a molecular weight of 353.38 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isoquinolin-1-yl-4-(7-methyl-1H-indol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 141401254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).