1-[2-(N-ethylanilino)ethyl]-5-pyridin-3-ylindole-2,3-dione;dihydrochloride

C23H23Cl2N3O2 — CID 71721885

IUPAC1-[2-(N-ethylanilino)ethyl]-5-pyridin-3-ylindole-2,3-dione;dihydrochloride
SMILESCCN(CCN1C(=O)C(=O)c2cc(-c3cccnc3)ccc21)c1ccccc1.Cl.Cl
InChIInChI=1S/C23H21N3O2.2ClH/c1-2-25(19-8-4-3-5-9-19)13-14-26-21-11-10-17(18-7-6-12-24-16-18)15-20(21)22(27)23(26)28;;/h3-12,15-16H,2,13-14H2,1H3;2*1H
InChIKeyGXMWDWMKKGAHKJ-UHFFFAOYSA-N
MW444.36 g/mol
LogP4.65
Rot. Bonds6

About 1-[2-(N-ethylanilino)ethyl]-5-pyridin-3-ylindole-2,3-dione;dihydrochloride

1-[2-(N-ethylanilino)ethyl]-5-pyridin-3-ylindole-2,3-dione;dihydrochloride (PubChem CID 71721885) has the molecular formula C23H23Cl2N3O2 and a molecular weight of 444.36 g/mol. Its IUPAC name is 1-[2-(N-ethylanilino)ethyl]-5-pyridin-3-ylindole-2,3-dione;dihydrochloride.

Molecular Properties

Compound Name1-[2-(N-ethylanilino)ethyl]-5-pyridin-3-ylindole-2,3-dione;dihydrochloride
PubChem CID71721885
Molecular FormulaC23H23Cl2N3O2
Molecular Weight444.36 g/mol
Exact Mass443.12
IUPAC Name1-[2-(N-ethylanilino)ethyl]-5-pyridin-3-ylindole-2,3-dione;dihydrochloride
SMILESCCN(CCN1C(=O)C(=O)c2cc(-c3cccnc3)ccc21)c1ccccc1.Cl.Cl
InChIInChI=1S/C23H21N3O2.2ClH/c1-2-25(19-8-4-3-5-9-19)13-14-26-21-11-10-17(18-7-6-12-24-16-18)15-20(21)22(27)23(26)28;;/h3-12,15-16H,2,13-14H2,1H3;2*1H
InChIKeyGXMWDWMKKGAHKJ-UHFFFAOYSA-N
XLogP4.65
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.36
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(N-ethylanilino)ethyl]-5-pyridin-3-ylindole-2,3-dione;dihydrochloride?
The IUPAC name of 1-[2-(N-ethylanilino)ethyl]-5-pyridin-3-ylindole-2,3-dione;dihydrochloride (CID 71721885) is 1-[2-(N-ethylanilino)ethyl]-5-pyridin-3-ylindole-2,3-dione;dihydrochloride.
What is the SMILES notation for 1-[2-(N-ethylanilino)ethyl]-5-pyridin-3-ylindole-2,3-dione;dihydrochloride?
The canonical SMILES for 1-[2-(N-ethylanilino)ethyl]-5-pyridin-3-ylindole-2,3-dione;dihydrochloride is CCN(CCN1C(=O)C(=O)c2cc(-c3cccnc3)ccc21)c1ccccc1.Cl.Cl.
What is the InChIKey of 1-[2-(N-ethylanilino)ethyl]-5-pyridin-3-ylindole-2,3-dione;dihydrochloride?
The InChIKey is GXMWDWMKKGAHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2.2ClH/c1-2-25(19-8-4-3-5-9-19)13-14-26-21-11-10-17(18-7-6-12-24-16-18)15-20(21)22(27)23(26)28;;/h3-12,15-16H,2,13-14H2,1H3;2*1H.
What are the key properties of 1-[2-(N-ethylanilino)ethyl]-5-pyridin-3-ylindole-2,3-dione;dihydrochloride?
1-[2-(N-ethylanilino)ethyl]-5-pyridin-3-ylindole-2,3-dione;dihydrochloride has a molecular weight of 444.36 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(N-ethylanilino)ethyl]-5-pyridin-3-ylindole-2,3-dione;dihydrochloride is sourced from PubChem (CID 71721885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).