5-bromo-6-morpholin-4-yl-3-(propylamino)-1,3-dihydroindol-2-one

C15H20BrN3O2 — CID 79345041

IUPAC5-bromo-6-morpholin-4-yl-3-(propylamino)-1,3-dihydroindol-2-one
SMILESCCCNC1C(=O)Nc2cc(N3CCOCC3)c(Br)cc21
InChIInChI=1S/C15H20BrN3O2/c1-2-3-17-14-10-8-11(16)13(9-12(10)18-15(14)20)19-4-6-21-7-5-19/h8-9,14,17H,2-7H2,1H3,(H,18,20)
InChIKeyCFGYEYMRSMTMNG-UHFFFAOYSA-N
MW354.25 g/mol
LogP2.28
Rot. Bonds4

About 5-bromo-6-morpholin-4-yl-3-(propylamino)-1,3-dihydroindol-2-one

5-bromo-6-morpholin-4-yl-3-(propylamino)-1,3-dihydroindol-2-one (PubChem CID 79345041) has the molecular formula C15H20BrN3O2 and a molecular weight of 354.25 g/mol. Its IUPAC name is 5-bromo-6-morpholin-4-yl-3-(propylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-6-morpholin-4-yl-3-(propylamino)-1,3-dihydroindol-2-one
PubChem CID79345041
Molecular FormulaC15H20BrN3O2
Molecular Weight354.25 g/mol
Exact Mass353.07
IUPAC Name5-bromo-6-morpholin-4-yl-3-(propylamino)-1,3-dihydroindol-2-one
SMILESCCCNC1C(=O)Nc2cc(N3CCOCC3)c(Br)cc21
InChIInChI=1S/C15H20BrN3O2/c1-2-3-17-14-10-8-11(16)13(9-12(10)18-15(14)20)19-4-6-21-7-5-19/h8-9,14,17H,2-7H2,1H3,(H,18,20)
InChIKeyCFGYEYMRSMTMNG-UHFFFAOYSA-N
XLogP2.28
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 52.28
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-morpholin-4-yl-3-(propylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-6-morpholin-4-yl-3-(propylamino)-1,3-dihydroindol-2-one (CID 79345041) is 5-bromo-6-morpholin-4-yl-3-(propylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-6-morpholin-4-yl-3-(propylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-6-morpholin-4-yl-3-(propylamino)-1,3-dihydroindol-2-one is CCCNC1C(=O)Nc2cc(N3CCOCC3)c(Br)cc21.
What is the InChIKey of 5-bromo-6-morpholin-4-yl-3-(propylamino)-1,3-dihydroindol-2-one?
The InChIKey is CFGYEYMRSMTMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2/c1-2-3-17-14-10-8-11(16)13(9-12(10)18-15(14)20)19-4-6-21-7-5-19/h8-9,14,17H,2-7H2,1H3,(H,18,20).
What are the key properties of 5-bromo-6-morpholin-4-yl-3-(propylamino)-1,3-dihydroindol-2-one?
5-bromo-6-morpholin-4-yl-3-(propylamino)-1,3-dihydroindol-2-one has a molecular weight of 354.25 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-morpholin-4-yl-3-(propylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 79345041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).