6-piperazin-1-ylbenzo[de]isoquinoline-1,3-dione

C16H15N3O2 — CID 23731504

IUPAC6-piperazin-1-ylbenzo[de]isoquinoline-1,3-dione
SMILESO=C1NC(=O)c2ccc(N3CCNCC3)c3cccc1c23
InChIInChI=1S/C16H15N3O2/c20-15-11-3-1-2-10-13(19-8-6-17-7-9-19)5-4-12(14(10)11)16(21)18-15/h1-5,17H,6-9H2,(H,18,20,21)
InChIKeySDICPWIGHSOHIS-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.13
Rot. Bonds1

About 6-piperazin-1-ylbenzo[de]isoquinoline-1,3-dione

6-piperazin-1-ylbenzo[de]isoquinoline-1,3-dione (PubChem CID 23731504) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 6-piperazin-1-ylbenzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name6-piperazin-1-ylbenzo[de]isoquinoline-1,3-dione
PubChem CID23731504
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name6-piperazin-1-ylbenzo[de]isoquinoline-1,3-dione
SMILESO=C1NC(=O)c2ccc(N3CCNCC3)c3cccc1c23
InChIInChI=1S/C16H15N3O2/c20-15-11-3-1-2-10-13(19-8-6-17-7-9-19)5-4-12(14(10)11)16(21)18-15/h1-5,17H,6-9H2,(H,18,20,21)
InChIKeySDICPWIGHSOHIS-UHFFFAOYSA-N
XLogP1.13
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Amonafide
CID 50515
4-Amino-1,8-naphthalimide
CID 1720
2-butyl-6-(butylamino)-1H-benzo(de)isoquinoline-1,3(2H)-dione
CID 87935
PJ-34
CID 4858
Solvent Yellow 44
CID 75589
4-Amino-N-phenyl-1,8-naphthalimide
CID 202512
1H-Benz(de)isoquinoline-1,3(2H)-dione, 5-amino-2-(2-(diethylamino)ethyl)-
CID 328773
2-(3-Bromophenyl)-6-((2-hydroxyethyl)amino)-1H-benzo(DE)isoquinoline-1,3(2H)-dione
CID 4177750
6-Dimethylamino-2-methyl-benzo[de]isoquinoline-1,3-dione
CID 2849973
2-(3-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)propyl)phenanthridin-6(5H)-one
CID 10216071
1H-benzo[de]isoquinoline-1,3(2H)-dione, 16
CID 11604802
3-Morpholin-4-ylmethyl-5H-phenanthridin-6-one
CID 44403357

Frequently Asked Questions

What is the IUPAC name of 6-piperazin-1-ylbenzo[de]isoquinoline-1,3-dione?
The IUPAC name of 6-piperazin-1-ylbenzo[de]isoquinoline-1,3-dione (CID 23731504) is 6-piperazin-1-ylbenzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 6-piperazin-1-ylbenzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 6-piperazin-1-ylbenzo[de]isoquinoline-1,3-dione is O=C1NC(=O)c2ccc(N3CCNCC3)c3cccc1c23.
What is the InChIKey of 6-piperazin-1-ylbenzo[de]isoquinoline-1,3-dione?
The InChIKey is SDICPWIGHSOHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c20-15-11-3-1-2-10-13(19-8-6-17-7-9-19)5-4-12(14(10)11)16(21)18-15/h1-5,17H,6-9H2,(H,18,20,21).
What are the key properties of 6-piperazin-1-ylbenzo[de]isoquinoline-1,3-dione?
6-piperazin-1-ylbenzo[de]isoquinoline-1,3-dione has a molecular weight of 281.31 g/mol, XLogP of 1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperazin-1-ylbenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 23731504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).