4-piperazin-1-ylnaphtho[3,2-e][2,1,3]benzothiadiazole-6,11-dione

C18H14N4O2S — CID 74223647

IUPAC4-piperazin-1-ylnaphtho[3,2-e][2,1,3]benzothiadiazole-6,11-dione
SMILESO=C1c2ccccc2C(=O)c2c1cc(N1CCNCC1)c1nsnc21
InChIInChI=1S/C18H14N4O2S/c23-17-10-3-1-2-4-11(10)18(24)14-12(17)9-13(15-16(14)21-25-20-15)22-7-5-19-6-8-22/h1-4,9,19H,5-8H2
InChIKeyJMEJMQTXEYTVJZ-UHFFFAOYSA-N
MW350.40 g/mol
LogP1.88
Rot. Bonds1

About 4-piperazin-1-ylnaphtho[3,2-e][2,1,3]benzothiadiazole-6,11-dione

4-piperazin-1-ylnaphtho[3,2-e][2,1,3]benzothiadiazole-6,11-dione (PubChem CID 74223647) has the molecular formula C18H14N4O2S and a molecular weight of 350.40 g/mol. Its IUPAC name is 4-piperazin-1-ylnaphtho[3,2-e][2,1,3]benzothiadiazole-6,11-dione.

Molecular Properties

Compound Name4-piperazin-1-ylnaphtho[3,2-e][2,1,3]benzothiadiazole-6,11-dione
PubChem CID74223647
Molecular FormulaC18H14N4O2S
Molecular Weight350.40 g/mol
Exact Mass350.08
IUPAC Name4-piperazin-1-ylnaphtho[3,2-e][2,1,3]benzothiadiazole-6,11-dione
SMILESO=C1c2ccccc2C(=O)c2c1cc(N1CCNCC1)c1nsnc21
InChIInChI=1S/C18H14N4O2S/c23-17-10-3-1-2-4-11(10)18(24)14-12(17)9-13(15-16(14)21-25-20-15)22-7-5-19-6-8-22/h1-4,9,19H,5-8H2
InChIKeyJMEJMQTXEYTVJZ-UHFFFAOYSA-N
XLogP1.88
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

4-morpholin-4-ylnaphtho[3,2-e][2,1,3]benzothiadiazole-6,11-dione
CID 7114844
4-(4-ethylphenyl)sulfanylnaphtho[2,3-g][2,1,3]benzothiadiazole-6,11-dione
CID 122191438
4-(3-chlorophenyl)sulfonylnaphtho[2,3-g][2,1,3]benzothiadiazole-6,11-dione
CID 74223251
2-(dimethylamino)-4-(2-piperazin-1-ylphenyl)benzo[e]benzimidazol-5-one
CID 134536705
1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide
CID 118703673
2,4-di(piperidin-1-yl)naphtho[2,3-h]quinoline-7,12-dione
CID 15326833
4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-6-chloro-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine
CID 20765665
CID 67824005
CID 67824005
2-(2-piperazin-1-ylphenyl)aniline
CID 118221589
benzo[f][2,1,3]benzothiadiazole-4,9-dione
CID 5257611
10,12-dimorpholin-4-yl-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one
CID 1115211
5-phenyl-3-piperazin-1-yl-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 44625997

Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-ylnaphtho[3,2-e][2,1,3]benzothiadiazole-6,11-dione?
The IUPAC name of 4-piperazin-1-ylnaphtho[3,2-e][2,1,3]benzothiadiazole-6,11-dione (CID 74223647) is 4-piperazin-1-ylnaphtho[3,2-e][2,1,3]benzothiadiazole-6,11-dione.
What is the SMILES notation for 4-piperazin-1-ylnaphtho[3,2-e][2,1,3]benzothiadiazole-6,11-dione?
The canonical SMILES for 4-piperazin-1-ylnaphtho[3,2-e][2,1,3]benzothiadiazole-6,11-dione is O=C1c2ccccc2C(=O)c2c1cc(N1CCNCC1)c1nsnc21.
What is the InChIKey of 4-piperazin-1-ylnaphtho[3,2-e][2,1,3]benzothiadiazole-6,11-dione?
The InChIKey is JMEJMQTXEYTVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S/c23-17-10-3-1-2-4-11(10)18(24)14-12(17)9-13(15-16(14)21-25-20-15)22-7-5-19-6-8-22/h1-4,9,19H,5-8H2.
What are the key properties of 4-piperazin-1-ylnaphtho[3,2-e][2,1,3]benzothiadiazole-6,11-dione?
4-piperazin-1-ylnaphtho[3,2-e][2,1,3]benzothiadiazole-6,11-dione has a molecular weight of 350.40 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-ylnaphtho[3,2-e][2,1,3]benzothiadiazole-6,11-dione is sourced from PubChem (CID 74223647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).