3-(6-amino-1-methylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione

C22H18N4O2 — CID 5327684

IUPAC3-(6-amino-1-methylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3cn(C)c4cc(N)ccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C22H18N4O2/c1-25-10-15(13-5-3-4-6-17(13)25)19-20(22(28)24-21(19)27)16-11-26(2)18-9-12(23)7-8-14(16)18/h3-11H,23H2,1-2H3,(H,24,27,28)
InChIKeyKTAUCQCZXBJXPD-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.82
Rot. Bonds2

About 3-(6-amino-1-methylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione

3-(6-amino-1-methylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione (PubChem CID 5327684) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 3-(6-amino-1-methylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(6-amino-1-methylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
PubChem CID5327684
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name3-(6-amino-1-methylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3cn(C)c4cc(N)ccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C22H18N4O2/c1-25-10-15(13-5-3-4-6-17(13)25)19-20(22(28)24-21(19)27)16-11-26(2)18-9-12(23)7-8-14(16)18/h3-11H,23H2,1-2H3,(H,24,27,28)
InChIKeyKTAUCQCZXBJXPD-UHFFFAOYSA-N
XLogP2.82
TPSA82.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-1-methylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(6-amino-1-methylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione (CID 5327684) is 3-(6-amino-1-methylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(6-amino-1-methylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(6-amino-1-methylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione is Cn1cc(C2=C(c3cn(C)c4cc(N)ccc34)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-(6-amino-1-methylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is KTAUCQCZXBJXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-25-10-15(13-5-3-4-6-17(13)25)19-20(22(28)24-21(19)27)16-11-26(2)18-9-12(23)7-8-14(16)18/h3-11H,23H2,1-2H3,(H,24,27,28).
What are the key properties of 3-(6-amino-1-methylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
3-(6-amino-1-methylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 370.41 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-1-methylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 5327684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).