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

C15H22BrN3O2 — CID 79343937

IUPAC5-bromo-6-[2-(dimethylamino)ethyl-propylamino]-3-hydroxy-1,3-dihydroindol-2-one
SMILESCCCN(CCN(C)C)c1cc2c(cc1Br)C(O)C(=O)N2
InChIInChI=1S/C15H22BrN3O2/c1-4-5-19(7-6-18(2)3)13-9-12-10(8-11(13)16)14(20)15(21)17-12/h8-9,14,20H,4-7H2,1-3H3,(H,17,21)
InChIKeyOMAUMUWYOGXIOE-UHFFFAOYSA-N
MW356.26 g/mol
LogP2.21
Rot. Bonds6

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

5-bromo-6-[2-(dimethylamino)ethyl-propylamino]-3-hydroxy-1,3-dihydroindol-2-one (PubChem CID 79343937) has the molecular formula C15H22BrN3O2 and a molecular weight of 356.26 g/mol. Its IUPAC name is 5-bromo-6-[2-(dimethylamino)ethyl-propylamino]-3-hydroxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-6-[2-(dimethylamino)ethyl-propylamino]-3-hydroxy-1,3-dihydroindol-2-one
PubChem CID79343937
Molecular FormulaC15H22BrN3O2
Molecular Weight356.26 g/mol
Exact Mass355.09
IUPAC Name5-bromo-6-[2-(dimethylamino)ethyl-propylamino]-3-hydroxy-1,3-dihydroindol-2-one
SMILESCCCN(CCN(C)C)c1cc2c(cc1Br)C(O)C(=O)N2
InChIInChI=1S/C15H22BrN3O2/c1-4-5-19(7-6-18(2)3)13-9-12-10(8-11(13)16)14(20)15(21)17-12/h8-9,14,20H,4-7H2,1-3H3,(H,17,21)
InChIKeyOMAUMUWYOGXIOE-UHFFFAOYSA-N
XLogP2.21
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-bromo-6-[2-(dimethylamino)ethyl-propylamino]-3-hydroxy-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-6-[2-(dimethylamino)ethyl-propylamino]-3-hydroxy-1,3-dihydroindol-2-one (CID 79343937) is 5-bromo-6-[2-(dimethylamino)ethyl-propylamino]-3-hydroxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-6-[2-(dimethylamino)ethyl-propylamino]-3-hydroxy-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-6-[2-(dimethylamino)ethyl-propylamino]-3-hydroxy-1,3-dihydroindol-2-one is CCCN(CCN(C)C)c1cc2c(cc1Br)C(O)C(=O)N2.
What is the InChIKey of 5-bromo-6-[2-(dimethylamino)ethyl-propylamino]-3-hydroxy-1,3-dihydroindol-2-one?
The InChIKey is OMAUMUWYOGXIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O2/c1-4-5-19(7-6-18(2)3)13-9-12-10(8-11(13)16)14(20)15(21)17-12/h8-9,14,20H,4-7H2,1-3H3,(H,17,21).
What are the key properties of 5-bromo-6-[2-(dimethylamino)ethyl-propylamino]-3-hydroxy-1,3-dihydroindol-2-one?
5-bromo-6-[2-(dimethylamino)ethyl-propylamino]-3-hydroxy-1,3-dihydroindol-2-one has a molecular weight of 356.26 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[2-(dimethylamino)ethyl-propylamino]-3-hydroxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 79343937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).