5-bromo-6-[ethyl(methyl)amino]-3-(propylamino)-1,3-dihydroindol-2-one

C14H20BrN3O — CID 79343471

IUPAC5-bromo-6-[ethyl(methyl)amino]-3-(propylamino)-1,3-dihydroindol-2-one
SMILESCCCNC1C(=O)Nc2cc(N(C)CC)c(Br)cc21
InChIInChI=1S/C14H20BrN3O/c1-4-6-16-13-9-7-10(15)12(18(3)5-2)8-11(9)17-14(13)19/h7-8,13,16H,4-6H2,1-3H3,(H,17,19)
InChIKeyJKRVTCGWGKAGKV-UHFFFAOYSA-N
MW326.24 g/mol
LogP2.90
Rot. Bonds5

About 5-bromo-6-[ethyl(methyl)amino]-3-(propylamino)-1,3-dihydroindol-2-one

5-bromo-6-[ethyl(methyl)amino]-3-(propylamino)-1,3-dihydroindol-2-one (PubChem CID 79343471) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 5-bromo-6-[ethyl(methyl)amino]-3-(propylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-6-[ethyl(methyl)amino]-3-(propylamino)-1,3-dihydroindol-2-one
PubChem CID79343471
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name5-bromo-6-[ethyl(methyl)amino]-3-(propylamino)-1,3-dihydroindol-2-one
SMILESCCCNC1C(=O)Nc2cc(N(C)CC)c(Br)cc21
InChIInChI=1S/C14H20BrN3O/c1-4-6-16-13-9-7-10(15)12(18(3)5-2)8-11(9)17-14(13)19/h7-8,13,16H,4-6H2,1-3H3,(H,17,19)
InChIKeyJKRVTCGWGKAGKV-UHFFFAOYSA-N
XLogP2.90
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.90
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-bromo-3-(ethylamino)-6-[(2-hydroxy-2-methylpropyl)-methylamino]-1,3-dihydroindol-2-one
CID 79378162
5-bromo-3-(ethylamino)-6-[methyl(3-methylbutyl)amino]-1,3-dihydroindol-2-one
CID 79343258
5-chloro-6-(diethylamino)-3-(propylamino)-1,3-dihydroindol-2-one
CID 79349525
5-bromo-6-imidazol-1-yl-3-(propylamino)-1,3-dihydroindol-2-one
CID 79344584
5-bromo-3-(ethylamino)-6-[ethyl(2-methylpropyl)amino]-1,3-dihydroindol-2-one
CID 79343711
3-[[5-bromo-3-(methylamino)-2-oxo-1,3-dihydroindol-6-yl]-methylamino]propanenitrile
CID 79342790
5-bromo-6-morpholin-4-yl-3-(propylamino)-1,3-dihydroindol-2-one
CID 79345041
5-bromo-3-(ethylamino)-6-[ethyl(2-methylprop-2-enyl)amino]-1,3-dihydroindol-2-one
CID 79344717
5-bromo-6-(3-hydroxy-2-methylpropyl)sulfanyl-3-(propylamino)-1,3-dihydroindol-2-one
CID 79344617
5-bromo-6-[cyclobutylmethyl(ethyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one
CID 107399220
3-[[5-bromo-3-(methylamino)-2-oxo-1,3-dihydroindol-6-yl]-methylamino]butanenitrile
CID 79343050
6-[methyl(2-methylpropyl)amino]-3-(propylamino)-1,3-dihydroindol-2-one
CID 43586791

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[ethyl(methyl)amino]-3-(propylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-6-[ethyl(methyl)amino]-3-(propylamino)-1,3-dihydroindol-2-one (CID 79343471) is 5-bromo-6-[ethyl(methyl)amino]-3-(propylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-6-[ethyl(methyl)amino]-3-(propylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-6-[ethyl(methyl)amino]-3-(propylamino)-1,3-dihydroindol-2-one is CCCNC1C(=O)Nc2cc(N(C)CC)c(Br)cc21.
What is the InChIKey of 5-bromo-6-[ethyl(methyl)amino]-3-(propylamino)-1,3-dihydroindol-2-one?
The InChIKey is JKRVTCGWGKAGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-4-6-16-13-9-7-10(15)12(18(3)5-2)8-11(9)17-14(13)19/h7-8,13,16H,4-6H2,1-3H3,(H,17,19).
What are the key properties of 5-bromo-6-[ethyl(methyl)amino]-3-(propylamino)-1,3-dihydroindol-2-one?
5-bromo-6-[ethyl(methyl)amino]-3-(propylamino)-1,3-dihydroindol-2-one has a molecular weight of 326.24 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[ethyl(methyl)amino]-3-(propylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 79343471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).