5-chloro-6-(dipropylamino)-1H-indole-2,3-dione

C14H17ClN2O2 — CID 79336156

IUPAC5-chloro-6-(dipropylamino)-1H-indole-2,3-dione
SMILESCCCN(CCC)c1cc2c(cc1Cl)C(=O)C(=O)N2
InChIInChI=1S/C14H17ClN2O2/c1-3-5-17(6-4-2)12-8-11-9(7-10(12)15)13(18)14(19)16-11/h7-8H,3-6H2,1-2H3,(H,16,18,19)
InChIKeyACJAEOAFIYPBML-UHFFFAOYSA-N
MW280.75 g/mol
LogP3.10
Rot. Bonds5

About 5-chloro-6-(dipropylamino)-1H-indole-2,3-dione

5-chloro-6-(dipropylamino)-1H-indole-2,3-dione (PubChem CID 79336156) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 5-chloro-6-(dipropylamino)-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-chloro-6-(dipropylamino)-1H-indole-2,3-dione
PubChem CID79336156
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name5-chloro-6-(dipropylamino)-1H-indole-2,3-dione
SMILESCCCN(CCC)c1cc2c(cc1Cl)C(=O)C(=O)N2
InChIInChI=1S/C14H17ClN2O2/c1-3-5-17(6-4-2)12-8-11-9(7-10(12)15)13(18)14(19)16-11/h7-8H,3-6H2,1-2H3,(H,16,18,19)
InChIKeyACJAEOAFIYPBML-UHFFFAOYSA-N
XLogP3.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-chloro-6-(dipropylamino)-1H-indole-2,3-dione?
The IUPAC name of 5-chloro-6-(dipropylamino)-1H-indole-2,3-dione (CID 79336156) is 5-chloro-6-(dipropylamino)-1H-indole-2,3-dione.
What is the SMILES notation for 5-chloro-6-(dipropylamino)-1H-indole-2,3-dione?
The canonical SMILES for 5-chloro-6-(dipropylamino)-1H-indole-2,3-dione is CCCN(CCC)c1cc2c(cc1Cl)C(=O)C(=O)N2.
What is the InChIKey of 5-chloro-6-(dipropylamino)-1H-indole-2,3-dione?
The InChIKey is ACJAEOAFIYPBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-3-5-17(6-4-2)12-8-11-9(7-10(12)15)13(18)14(19)16-11/h7-8H,3-6H2,1-2H3,(H,16,18,19).
What are the key properties of 5-chloro-6-(dipropylamino)-1H-indole-2,3-dione?
5-chloro-6-(dipropylamino)-1H-indole-2,3-dione has a molecular weight of 280.75 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(dipropylamino)-1H-indole-2,3-dione is sourced from PubChem (CID 79336156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).