5-chloro-3-(ethylamino)-6-[methyl(propyl)amino]-1,3-dihydroindol-2-one

C14H20ClN3O — CID 79349890

IUPAC5-chloro-3-(ethylamino)-6-[methyl(propyl)amino]-1,3-dihydroindol-2-one
SMILESCCCN(C)c1cc2c(cc1Cl)C(NCC)C(=O)N2
InChIInChI=1S/C14H20ClN3O/c1-4-6-18(3)12-8-11-9(7-10(12)15)13(16-5-2)14(19)17-11/h7-8,13,16H,4-6H2,1-3H3,(H,17,19)
InChIKeyGWKQTLADJGWYAE-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.79
Rot. Bonds5

About 5-chloro-3-(ethylamino)-6-[methyl(propyl)amino]-1,3-dihydroindol-2-one

5-chloro-3-(ethylamino)-6-[methyl(propyl)amino]-1,3-dihydroindol-2-one (PubChem CID 79349890) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 5-chloro-3-(ethylamino)-6-[methyl(propyl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-3-(ethylamino)-6-[methyl(propyl)amino]-1,3-dihydroindol-2-one
PubChem CID79349890
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name5-chloro-3-(ethylamino)-6-[methyl(propyl)amino]-1,3-dihydroindol-2-one
SMILESCCCN(C)c1cc2c(cc1Cl)C(NCC)C(=O)N2
InChIInChI=1S/C14H20ClN3O/c1-4-6-18(3)12-8-11-9(7-10(12)15)13(16-5-2)14(19)17-11/h7-8,13,16H,4-6H2,1-3H3,(H,17,19)
InChIKeyGWKQTLADJGWYAE-UHFFFAOYSA-N
XLogP2.79
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(ethylamino)-6-[methyl(propyl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-3-(ethylamino)-6-[methyl(propyl)amino]-1,3-dihydroindol-2-one (CID 79349890) is 5-chloro-3-(ethylamino)-6-[methyl(propyl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-3-(ethylamino)-6-[methyl(propyl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-3-(ethylamino)-6-[methyl(propyl)amino]-1,3-dihydroindol-2-one is CCCN(C)c1cc2c(cc1Cl)C(NCC)C(=O)N2.
What is the InChIKey of 5-chloro-3-(ethylamino)-6-[methyl(propyl)amino]-1,3-dihydroindol-2-one?
The InChIKey is GWKQTLADJGWYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-4-6-18(3)12-8-11-9(7-10(12)15)13(16-5-2)14(19)17-11/h7-8,13,16H,4-6H2,1-3H3,(H,17,19).
What are the key properties of 5-chloro-3-(ethylamino)-6-[methyl(propyl)amino]-1,3-dihydroindol-2-one?
5-chloro-3-(ethylamino)-6-[methyl(propyl)amino]-1,3-dihydroindol-2-one has a molecular weight of 281.79 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(ethylamino)-6-[methyl(propyl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 79349890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).