3-[7-(aminomethyl)-2-methylnaphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione

C25H21N3O2 — CID 11538477

IUPAC3-[7-(aminomethyl)-2-methylnaphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCc1ccc2ccc(CN)cc2c1C1=C(c2cn(C)c3ccccc23)C(=O)NC1=O
InChIInChI=1S/C25H21N3O2/c1-14-7-9-16-10-8-15(12-26)11-18(16)21(14)23-22(24(29)27-25(23)30)19-13-28(2)20-6-4-3-5-17(19)20/h3-11,13H,12,26H2,1-2H3,(H,27,29,30)
InChIKeyLUTDJAQBHWESAA-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.67
Rot. Bonds3

About 3-[7-(aminomethyl)-2-methylnaphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione

3-[7-(aminomethyl)-2-methylnaphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione (PubChem CID 11538477) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is 3-[7-(aminomethyl)-2-methylnaphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[7-(aminomethyl)-2-methylnaphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
PubChem CID11538477
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC Name3-[7-(aminomethyl)-2-methylnaphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCc1ccc2ccc(CN)cc2c1C1=C(c2cn(C)c3ccccc23)C(=O)NC1=O
InChIInChI=1S/C25H21N3O2/c1-14-7-9-16-10-8-15(12-26)11-18(16)21(14)23-22(24(29)27-25(23)30)19-13-28(2)20-6-4-3-5-17(19)20/h3-11,13H,12,26H2,1-2H3,(H,27,29,30)
InChIKeyLUTDJAQBHWESAA-UHFFFAOYSA-N
XLogP3.67
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[7-(aminomethyl)-2-methylnaphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[7-(aminomethyl)-2-methylnaphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[7-(aminomethyl)-2-methylnaphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione (CID 11538477) is 3-[7-(aminomethyl)-2-methylnaphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[7-(aminomethyl)-2-methylnaphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[7-(aminomethyl)-2-methylnaphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione is Cc1ccc2ccc(CN)cc2c1C1=C(c2cn(C)c3ccccc23)C(=O)NC1=O.
What is the InChIKey of 3-[7-(aminomethyl)-2-methylnaphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is LUTDJAQBHWESAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2/c1-14-7-9-16-10-8-15(12-26)11-18(16)21(14)23-22(24(29)27-25(23)30)19-13-28(2)20-6-4-3-5-17(19)20/h3-11,13H,12,26H2,1-2H3,(H,27,29,30).
What are the key properties of 3-[7-(aminomethyl)-2-methylnaphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
3-[7-(aminomethyl)-2-methylnaphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 395.46 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(aminomethyl)-2-methylnaphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 11538477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).