5-bromo-3-(ethylamino)-6-[ethyl(2-methylprop-2-enyl)amino]-1,3-dihydroindol-2-one

C16H22BrN3O — CID 79344717

IUPAC5-bromo-3-(ethylamino)-6-[ethyl(2-methylprop-2-enyl)amino]-1,3-dihydroindol-2-one
SMILESC=C(C)CN(CC)c1cc2c(cc1Br)C(NCC)C(=O)N2
InChIInChI=1S/C16H22BrN3O/c1-5-18-15-11-7-12(17)14(8-13(11)19-16(15)21)20(6-2)9-10(3)4/h7-8,15,18H,3,5-6,9H2,1-2,4H3,(H,19,21)
InChIKeyROSQZMKRSYXUDU-UHFFFAOYSA-N
MW352.28 g/mol
LogP3.45
Rot. Bonds6

About 5-bromo-3-(ethylamino)-6-[ethyl(2-methylprop-2-enyl)amino]-1,3-dihydroindol-2-one

5-bromo-3-(ethylamino)-6-[ethyl(2-methylprop-2-enyl)amino]-1,3-dihydroindol-2-one (PubChem CID 79344717) has the molecular formula C16H22BrN3O and a molecular weight of 352.28 g/mol. Its IUPAC name is 5-bromo-3-(ethylamino)-6-[ethyl(2-methylprop-2-enyl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-3-(ethylamino)-6-[ethyl(2-methylprop-2-enyl)amino]-1,3-dihydroindol-2-one
PubChem CID79344717
Molecular FormulaC16H22BrN3O
Molecular Weight352.28 g/mol
Exact Mass351.09
IUPAC Name5-bromo-3-(ethylamino)-6-[ethyl(2-methylprop-2-enyl)amino]-1,3-dihydroindol-2-one
SMILESC=C(C)CN(CC)c1cc2c(cc1Br)C(NCC)C(=O)N2
InChIInChI=1S/C16H22BrN3O/c1-5-18-15-11-7-12(17)14(8-13(11)19-16(15)21)20(6-2)9-10(3)4/h7-8,15,18H,3,5-6,9H2,1-2,4H3,(H,19,21)
InChIKeyROSQZMKRSYXUDU-UHFFFAOYSA-N
XLogP3.45
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-bromo-3-(ethylamino)-6-[ethyl(2-methylprop-2-enyl)amino]-1,3-dihydroindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-3-(ethylamino)-6-[ethyl(2-methylpropyl)amino]-1,3-dihydroindol-2-one
CID 79343711
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-bromo-6-[ethyl(methyl)amino]-3-(propylamino)-1,3-dihydroindol-2-one
CID 79343471
5-bromo-6-[cyclobutylmethyl(ethyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one
CID 107399220
5-bromo-6-tert-butylsulfanyl-3-(ethylamino)-1,3-dihydroindol-2-one
CID 79343077
5-bromo-3-(ethylamino)-6-(2-methylpropylsulfanyl)-1,3-dihydroindol-2-one
CID 79344222
3-(ethylamino)-5,6-difluoro-1,3-dihydroindol-2-one
CID 82235271
5-bromo-3-(ethylamino)-6-piperidin-1-yl-1,3-dihydroindol-2-one
CID 79343706
5-chloro-3-(ethylamino)-6-[ethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one
CID 79349532
5-bromo-6-(3,4-dimethylpyrrolidin-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one
CID 79342117
5-chloro-6-(diethylamino)-3-(propylamino)-1,3-dihydroindol-2-one
CID 79349525

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(ethylamino)-6-[ethyl(2-methylprop-2-enyl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-3-(ethylamino)-6-[ethyl(2-methylprop-2-enyl)amino]-1,3-dihydroindol-2-one (CID 79344717) is 5-bromo-3-(ethylamino)-6-[ethyl(2-methylprop-2-enyl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-3-(ethylamino)-6-[ethyl(2-methylprop-2-enyl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-3-(ethylamino)-6-[ethyl(2-methylprop-2-enyl)amino]-1,3-dihydroindol-2-one is C=C(C)CN(CC)c1cc2c(cc1Br)C(NCC)C(=O)N2.
What is the InChIKey of 5-bromo-3-(ethylamino)-6-[ethyl(2-methylprop-2-enyl)amino]-1,3-dihydroindol-2-one?
The InChIKey is ROSQZMKRSYXUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O/c1-5-18-15-11-7-12(17)14(8-13(11)19-16(15)21)20(6-2)9-10(3)4/h7-8,15,18H,3,5-6,9H2,1-2,4H3,(H,19,21).
What are the key properties of 5-bromo-3-(ethylamino)-6-[ethyl(2-methylprop-2-enyl)amino]-1,3-dihydroindol-2-one?
5-bromo-3-(ethylamino)-6-[ethyl(2-methylprop-2-enyl)amino]-1,3-dihydroindol-2-one has a molecular weight of 352.28 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(ethylamino)-6-[ethyl(2-methylprop-2-enyl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 79344717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).