6-bromo-2-(2,2,6,6-tetramethylpiperidin-4-yl)benzo[de]isoquinoline-1,3-dione

C21H23BrN2O2 — CID 101197155

IUPAC6-bromo-2-(2,2,6,6-tetramethylpiperidin-4-yl)benzo[de]isoquinoline-1,3-dione
SMILESCC1(C)CC(N2C(=O)c3cccc4c(Br)ccc(c34)C2=O)CC(C)(C)N1
InChIInChI=1S/C21H23BrN2O2/c1-20(2)10-12(11-21(3,4)23-20)24-18(25)14-7-5-6-13-16(22)9-8-15(17(13)14)19(24)26/h5-9,12,23H,10-11H2,1-4H3
InChIKeyKVENGCCTHCBSTM-UHFFFAOYSA-N
MW415.33 g/mol
LogP4.51
Rot. Bonds1

About 6-bromo-2-(2,2,6,6-tetramethylpiperidin-4-yl)benzo[de]isoquinoline-1,3-dione

6-bromo-2-(2,2,6,6-tetramethylpiperidin-4-yl)benzo[de]isoquinoline-1,3-dione (PubChem CID 101197155) has the molecular formula C21H23BrN2O2 and a molecular weight of 415.33 g/mol. Its IUPAC name is 6-bromo-2-(2,2,6,6-tetramethylpiperidin-4-yl)benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name6-bromo-2-(2,2,6,6-tetramethylpiperidin-4-yl)benzo[de]isoquinoline-1,3-dione
PubChem CID101197155
Molecular FormulaC21H23BrN2O2
Molecular Weight415.33 g/mol
Exact Mass414.09
IUPAC Name6-bromo-2-(2,2,6,6-tetramethylpiperidin-4-yl)benzo[de]isoquinoline-1,3-dione
SMILESCC1(C)CC(N2C(=O)c3cccc4c(Br)ccc(c34)C2=O)CC(C)(C)N1
InChIInChI=1S/C21H23BrN2O2/c1-20(2)10-12(11-21(3,4)23-20)24-18(25)14-7-5-6-13-16(22)9-8-15(17(13)14)19(24)26/h5-9,12,23H,10-11H2,1-4H3
InChIKeyKVENGCCTHCBSTM-UHFFFAOYSA-N
XLogP4.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.33
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

6-(methylamino)-2-(2,2,6,6-tetramethylpiperidin-4-yl)benzo[de]isoquinoline-1,3-dione
CID 102332297
6-bromo-2-methoxybenzo[de]isoquinoline-1,3-dione
CID 4013894
1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carbonyl bromide
CID 19003320
6-amino-2-cyclohexylbenzo[de]isoquinoline-1,3-dione
CID 18400496
6-amino-2-piperidin-4-ylbenzo[de]isoquinoline-1,3-dione
CID 19769415
6-bromo-2-(3,5-dimethylphenyl)benzo[de]isoquinoline-1,3-dione
CID 102053151
5-bromo-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one
CID 174167920
4-(6-bromo-1,3-dioxobenzo[de]isoquinolin-2-yl)benzonitrile
CID 102171225
6-bromo-2-[2-[2-(6-bromo-1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]ethyl]benzo[de]isoquinoline-1,3-dione
CID 59769116
2-cyclohexyl-6-[4-[4-(2-cyclohexyl-1,3-dioxobenzo[de]isoquinolin-6-yl)phenyl]phenyl]benzo[de]isoquinoline-1,3-dione
CID 137492349
7-(5-bromo-2-oxobenzo[cd]indol-1-yl)-2-oxa-5-azaspiro[3.5]nonan-6-one
CID 163258996
3-(6-bromo-1,3-dioxobenzo[de]isoquinolin-2-yl)propanoic acid
CID 6426243

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2,2,6,6-tetramethylpiperidin-4-yl)benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 6-bromo-2-(2,2,6,6-tetramethylpiperidin-4-yl)benzo[de]isoquinoline-1,3-dione (CID 101197155) is 6-bromo-2-(2,2,6,6-tetramethylpiperidin-4-yl)benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 6-bromo-2-(2,2,6,6-tetramethylpiperidin-4-yl)benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 6-bromo-2-(2,2,6,6-tetramethylpiperidin-4-yl)benzo[de]isoquinoline-1,3-dione is CC1(C)CC(N2C(=O)c3cccc4c(Br)ccc(c34)C2=O)CC(C)(C)N1.
What is the InChIKey of 6-bromo-2-(2,2,6,6-tetramethylpiperidin-4-yl)benzo[de]isoquinoline-1,3-dione?
The InChIKey is KVENGCCTHCBSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN2O2/c1-20(2)10-12(11-21(3,4)23-20)24-18(25)14-7-5-6-13-16(22)9-8-15(17(13)14)19(24)26/h5-9,12,23H,10-11H2,1-4H3.
What are the key properties of 6-bromo-2-(2,2,6,6-tetramethylpiperidin-4-yl)benzo[de]isoquinoline-1,3-dione?
6-bromo-2-(2,2,6,6-tetramethylpiperidin-4-yl)benzo[de]isoquinoline-1,3-dione has a molecular weight of 415.33 g/mol, XLogP of 4.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2,2,6,6-tetramethylpiperidin-4-yl)benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 101197155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).