7-piperazin-1-yl-1H-quinoline-4-thione

C13H15N3S — CID 19075055

IUPAC7-piperazin-1-yl-1H-quinoline-4-thione
SMILESS=c1cc[nH]c2cc(N3CCNCC3)ccc12
InChIInChI=1S/C13H15N3S/c17-13-3-4-15-12-9-10(1-2-11(12)13)16-7-5-14-6-8-16/h1-4,9,14H,5-8H2,(H,15,17)
InChIKeyXNWGKPSQCXGBLO-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.31
Rot. Bonds1

About 7-piperazin-1-yl-1H-quinoline-4-thione

7-piperazin-1-yl-1H-quinoline-4-thione (PubChem CID 19075055) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is 7-piperazin-1-yl-1H-quinoline-4-thione.

Molecular Properties

Compound Name7-piperazin-1-yl-1H-quinoline-4-thione
PubChem CID19075055
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC Name7-piperazin-1-yl-1H-quinoline-4-thione
SMILESS=c1cc[nH]c2cc(N3CCNCC3)ccc12
InChIInChI=1S/C13H15N3S/c17-13-3-4-15-12-9-10(1-2-11(12)13)16-7-5-14-6-8-16/h1-4,9,14H,5-8H2,(H,15,17)
InChIKeyXNWGKPSQCXGBLO-UHFFFAOYSA-N
XLogP2.31
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-piperazin-1-yl-1,3-dihydrobenzimidazole-2-thione
CID 18792799
5-(1,4-diazepan-1-yl)-1H-indole
CID 83972060
tert-butyl formate;6-piperazin-1-yl-1H-indole
CID 175263131
7-propan-2-yl-1H-quinoline-4-thione
CID 19075128
1-(3,4-difluorophenyl)piperazine
CID 2783122
1-(3,4-dimethylphenyl)piperazine;hydrochloride
CID 56766536
Sodium 4-quinolyl thiol
CID 131747354
2-methyl-6-piperazin-1-yl-1H-benzimidazole
CID 20580687
aniline;1-phenylpiperazine
CID 175572624
2,4,6-tris(4-piperazin-1-ylphenyl)-1,3,5-triazine
CID 146566089
3-(benzenesulfonyl)-5-piperazin-1-yl-1H-indole;hydrochloride
CID 69352721
7-piperazin-1-yl-4-[(7-piperazin-1-ylquinolin-4-yl)disulfanyl]quinoline
CID 139772933

Frequently Asked Questions

What is the IUPAC name of 7-piperazin-1-yl-1H-quinoline-4-thione?
The IUPAC name of 7-piperazin-1-yl-1H-quinoline-4-thione (CID 19075055) is 7-piperazin-1-yl-1H-quinoline-4-thione.
What is the SMILES notation for 7-piperazin-1-yl-1H-quinoline-4-thione?
The canonical SMILES for 7-piperazin-1-yl-1H-quinoline-4-thione is S=c1cc[nH]c2cc(N3CCNCC3)ccc12.
What is the InChIKey of 7-piperazin-1-yl-1H-quinoline-4-thione?
The InChIKey is XNWGKPSQCXGBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c17-13-3-4-15-12-9-10(1-2-11(12)13)16-7-5-14-6-8-16/h1-4,9,14H,5-8H2,(H,15,17).
What are the key properties of 7-piperazin-1-yl-1H-quinoline-4-thione?
7-piperazin-1-yl-1H-quinoline-4-thione has a molecular weight of 245.35 g/mol, XLogP of 2.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperazin-1-yl-1H-quinoline-4-thione is sourced from PubChem (CID 19075055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).