5-chloro-6-(2,2-dimethylpyrrolidin-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one

C16H22ClN3O — CID 79343879

IUPAC5-chloro-6-(2,2-dimethylpyrrolidin-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(N3CCCC3(C)C)c(Cl)cc21
InChIInChI=1S/C16H22ClN3O/c1-4-18-14-10-8-11(17)13(9-12(10)19-15(14)21)20-7-5-6-16(20,2)3/h8-9,14,18H,4-7H2,1-3H3,(H,19,21)
InChIKeyWMCUPEMYVTUQOA-UHFFFAOYSA-N
MW307.83 g/mol
LogP3.32
Rot. Bonds3

About 5-chloro-6-(2,2-dimethylpyrrolidin-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one

5-chloro-6-(2,2-dimethylpyrrolidin-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one (PubChem CID 79343879) has the molecular formula C16H22ClN3O and a molecular weight of 307.83 g/mol. Its IUPAC name is 5-chloro-6-(2,2-dimethylpyrrolidin-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-6-(2,2-dimethylpyrrolidin-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one
PubChem CID79343879
Molecular FormulaC16H22ClN3O
Molecular Weight307.83 g/mol
Exact Mass307.15
IUPAC Name5-chloro-6-(2,2-dimethylpyrrolidin-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(N3CCCC3(C)C)c(Cl)cc21
InChIInChI=1S/C16H22ClN3O/c1-4-18-14-10-8-11(17)13(9-12(10)19-15(14)21)20-7-5-6-16(20,2)3/h8-9,14,18H,4-7H2,1-3H3,(H,19,21)
InChIKeyWMCUPEMYVTUQOA-UHFFFAOYSA-N
XLogP3.32
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.83
LogP ≤ 53.32
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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Related Compounds

5-chloro-3-(ethylamino)-6-(4-hydroxypiperidin-1-yl)-1,3-dihydroindol-2-one
CID 79342697
5-chloro-3-(methylamino)-6-pyrrolidin-1-yl-1,3-dihydroindol-2-one
CID 79348828
5-chloro-6-(4-ethylpiperazin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one
CID 79342702
5-bromo-3-(ethylamino)-6-piperidin-1-yl-1,3-dihydroindol-2-one
CID 79343706
5-chloro-6-(2-ethylpiperidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one
CID 79342727
5-chloro-3-(ethylamino)-6-methylsulfanyl-1,3-dihydroindol-2-one
CID 79336270
5-chloro-3-(methylamino)-6-(1,4-oxazepan-4-yl)-1,3-dihydroindol-2-one
CID 79348767
5-chloro-6-(2-ethylmorpholin-4-yl)-3-(methylamino)-1,3-dihydroindol-2-one
CID 79342950
5-chloro-3-(ethylamino)-6-propan-2-yloxy-1,3-dihydroindol-2-one
CID 79349562
6-(4,4-dimethylpiperidin-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one
CID 62936578
5-chloro-3-(ethylamino)-6-[methyl(propyl)amino]-1,3-dihydroindol-2-one
CID 79349890
6-butan-2-yloxy-5-chloro-3-(ethylamino)-1,3-dihydroindol-2-one
CID 79349040

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(2,2-dimethylpyrrolidin-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-6-(2,2-dimethylpyrrolidin-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one (CID 79343879) is 5-chloro-6-(2,2-dimethylpyrrolidin-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-6-(2,2-dimethylpyrrolidin-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-6-(2,2-dimethylpyrrolidin-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one is CCNC1C(=O)Nc2cc(N3CCCC3(C)C)c(Cl)cc21.
What is the InChIKey of 5-chloro-6-(2,2-dimethylpyrrolidin-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one?
The InChIKey is WMCUPEMYVTUQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-4-18-14-10-8-11(17)13(9-12(10)19-15(14)21)20-7-5-6-16(20,2)3/h8-9,14,18H,4-7H2,1-3H3,(H,19,21).
What are the key properties of 5-chloro-6-(2,2-dimethylpyrrolidin-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one?
5-chloro-6-(2,2-dimethylpyrrolidin-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one has a molecular weight of 307.83 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(2,2-dimethylpyrrolidin-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 79343879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).