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

C24H19N3O2 — CID 11639520

IUPAC3-[7-(aminomethyl)naphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3cccc4ccc(CN)cc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C24H19N3O2/c1-27-13-19(16-6-2-3-8-20(16)27)22-21(23(28)26-24(22)29)17-7-4-5-15-10-9-14(12-25)11-18(15)17/h2-11,13H,12,25H2,1H3,(H,26,28,29)
InChIKeyIYPFXBNRYNDIDC-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.36
Rot. Bonds3

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

3-[7-(aminomethyl)naphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione (PubChem CID 11639520) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 3-[7-(aminomethyl)naphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[7-(aminomethyl)naphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
PubChem CID11639520
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC Name3-[7-(aminomethyl)naphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3cccc4ccc(CN)cc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C24H19N3O2/c1-27-13-19(16-6-2-3-8-20(16)27)22-21(23(28)26-24(22)29)17-7-4-5-15-10-9-14(12-25)11-18(15)17/h2-11,13H,12,25H2,1H3,(H,26,28,29)
InChIKeyIYPFXBNRYNDIDC-UHFFFAOYSA-N
XLogP3.36
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[7-(aminomethyl)naphthalen-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)naphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[7-(aminomethyl)naphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione (CID 11639520) is 3-[7-(aminomethyl)naphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[7-(aminomethyl)naphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[7-(aminomethyl)naphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione is Cn1cc(C2=C(c3cccc4ccc(CN)cc34)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-[7-(aminomethyl)naphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is IYPFXBNRYNDIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2/c1-27-13-19(16-6-2-3-8-20(16)27)22-21(23(28)26-24(22)29)17-7-4-5-15-10-9-14(12-25)11-18(15)17/h2-11,13H,12,25H2,1H3,(H,26,28,29).
What are the key properties of 3-[7-(aminomethyl)naphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
3-[7-(aminomethyl)naphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 381.44 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(aminomethyl)naphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 11639520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).