6-chloro-1-[3-(ethylamino)propyl]indole-2,3-dione

C13H15ClN2O2 — CID 61388444

IUPAC6-chloro-1-[3-(ethylamino)propyl]indole-2,3-dione
SMILESCCNCCCN1C(=O)C(=O)c2ccc(Cl)cc21
InChIInChI=1S/C13H15ClN2O2/c1-2-15-6-3-7-16-11-8-9(14)4-5-10(11)12(17)13(16)18/h4-5,8,15H,2-3,6-7H2,1H3
InChIKeyQOJLWBAWGCSGMA-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.87
Rot. Bonds5

About 6-chloro-1-[3-(ethylamino)propyl]indole-2,3-dione

6-chloro-1-[3-(ethylamino)propyl]indole-2,3-dione (PubChem CID 61388444) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 6-chloro-1-[3-(ethylamino)propyl]indole-2,3-dione.

Molecular Properties

Compound Name6-chloro-1-[3-(ethylamino)propyl]indole-2,3-dione
PubChem CID61388444
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name6-chloro-1-[3-(ethylamino)propyl]indole-2,3-dione
SMILESCCNCCCN1C(=O)C(=O)c2ccc(Cl)cc21
InChIInChI=1S/C13H15ClN2O2/c1-2-15-6-3-7-16-11-8-9(14)4-5-10(11)12(17)13(16)18/h4-5,8,15H,2-3,6-7H2,1H3
InChIKeyQOJLWBAWGCSGMA-UHFFFAOYSA-N
XLogP1.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[3-(ethylamino)propyl]indole-2,3-dione?
The IUPAC name of 6-chloro-1-[3-(ethylamino)propyl]indole-2,3-dione (CID 61388444) is 6-chloro-1-[3-(ethylamino)propyl]indole-2,3-dione.
What is the SMILES notation for 6-chloro-1-[3-(ethylamino)propyl]indole-2,3-dione?
The canonical SMILES for 6-chloro-1-[3-(ethylamino)propyl]indole-2,3-dione is CCNCCCN1C(=O)C(=O)c2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-[3-(ethylamino)propyl]indole-2,3-dione?
The InChIKey is QOJLWBAWGCSGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-2-15-6-3-7-16-11-8-9(14)4-5-10(11)12(17)13(16)18/h4-5,8,15H,2-3,6-7H2,1H3.
What are the key properties of 6-chloro-1-[3-(ethylamino)propyl]indole-2,3-dione?
6-chloro-1-[3-(ethylamino)propyl]indole-2,3-dione has a molecular weight of 266.73 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[3-(ethylamino)propyl]indole-2,3-dione is sourced from PubChem (CID 61388444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).