5-bromo-3-hydroxy-6-(4-propylpiperazin-1-yl)-1,3-dihydroindol-2-one

C15H20BrN3O2 — CID 79343686

IUPAC5-bromo-3-hydroxy-6-(4-propylpiperazin-1-yl)-1,3-dihydroindol-2-one
SMILESCCCN1CCN(c2cc3c(cc2Br)C(O)C(=O)N3)CC1
InChIInChI=1S/C15H20BrN3O2/c1-2-3-18-4-6-19(7-5-18)13-9-12-10(8-11(13)16)14(20)15(21)17-12/h8-9,14,20H,2-7H2,1H3,(H,17,21)
InChIKeyCSSSLNGHOIJISM-UHFFFAOYSA-N
MW354.25 g/mol
LogP1.97
Rot. Bonds3

About 5-bromo-3-hydroxy-6-(4-propylpiperazin-1-yl)-1,3-dihydroindol-2-one

5-bromo-3-hydroxy-6-(4-propylpiperazin-1-yl)-1,3-dihydroindol-2-one (PubChem CID 79343686) has the molecular formula C15H20BrN3O2 and a molecular weight of 354.25 g/mol. Its IUPAC name is 5-bromo-3-hydroxy-6-(4-propylpiperazin-1-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-3-hydroxy-6-(4-propylpiperazin-1-yl)-1,3-dihydroindol-2-one
PubChem CID79343686
Molecular FormulaC15H20BrN3O2
Molecular Weight354.25 g/mol
Exact Mass353.07
IUPAC Name5-bromo-3-hydroxy-6-(4-propylpiperazin-1-yl)-1,3-dihydroindol-2-one
SMILESCCCN1CCN(c2cc3c(cc2Br)C(O)C(=O)N3)CC1
InChIInChI=1S/C15H20BrN3O2/c1-2-3-18-4-6-19(7-5-18)13-9-12-10(8-11(13)16)14(20)15(21)17-12/h8-9,14,20H,2-7H2,1H3,(H,17,21)
InChIKeyCSSSLNGHOIJISM-UHFFFAOYSA-N
XLogP1.97
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 51.97
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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Related Compounds

5-bromo-3-hydroxy-6-[4-(methoxymethyl)piperidin-1-yl]-1,3-dihydroindol-2-one
CID 79344151
5-bromo-6-(2,2-dimethylmorpholin-4-yl)-3-hydroxy-1,3-dihydroindol-2-one
CID 79336741
5-bromo-3-hydroxy-6-(3-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one
CID 79336678
5-fluoro-3-hydroxy-6-(4-propylpiperidin-1-yl)-1,3-dihydroindol-2-one
CID 80746743
5-bromo-3-(ethylamino)-6-piperidin-1-yl-1,3-dihydroindol-2-one
CID 79343706
5-bromo-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-hydroxy-1,3-dihydroindol-2-one
CID 79343678
5-bromo-6-morpholin-4-yl-3-(propylamino)-1,3-dihydroindol-2-one
CID 79345041
6-(3-ethyl-4-methylpiperazin-1-yl)-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
CID 80747352
6-(azepan-1-yl)-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
CID 79336064
6-(azocan-1-yl)-5-bromo-3-(methylamino)-1,3-dihydroindol-2-one
CID 79344878
6-(4-ethyl-3-methylpiperazin-1-yl)-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
CID 80747351
3-amino-5-bromo-6-thiomorpholin-4-yl-1,3-dihydroindol-2-one
CID 79342791

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-hydroxy-6-(4-propylpiperazin-1-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-3-hydroxy-6-(4-propylpiperazin-1-yl)-1,3-dihydroindol-2-one (CID 79343686) is 5-bromo-3-hydroxy-6-(4-propylpiperazin-1-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-3-hydroxy-6-(4-propylpiperazin-1-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-3-hydroxy-6-(4-propylpiperazin-1-yl)-1,3-dihydroindol-2-one is CCCN1CCN(c2cc3c(cc2Br)C(O)C(=O)N3)CC1.
What is the InChIKey of 5-bromo-3-hydroxy-6-(4-propylpiperazin-1-yl)-1,3-dihydroindol-2-one?
The InChIKey is CSSSLNGHOIJISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2/c1-2-3-18-4-6-19(7-5-18)13-9-12-10(8-11(13)16)14(20)15(21)17-12/h8-9,14,20H,2-7H2,1H3,(H,17,21).
What are the key properties of 5-bromo-3-hydroxy-6-(4-propylpiperazin-1-yl)-1,3-dihydroindol-2-one?
5-bromo-3-hydroxy-6-(4-propylpiperazin-1-yl)-1,3-dihydroindol-2-one has a molecular weight of 354.25 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-hydroxy-6-(4-propylpiperazin-1-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 79343686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).