3-(benzenesulfinyl)-8-piperazin-1-ylquinoline

C19H19N3OS — CID 145405985

IUPAC3-(benzenesulfinyl)-8-piperazin-1-ylquinoline
SMILESO=S(c1ccccc1)c1cnc2c(N3CCNCC3)cccc2c1
InChIInChI=1S/C19H19N3OS/c23-24(16-6-2-1-3-7-16)17-13-15-5-4-8-18(19(15)21-14-17)22-11-9-20-10-12-22/h1-8,13-14,20H,9-12H2
InChIKeyDHILEWICSMSSNC-UHFFFAOYSA-N
MW337.45 g/mol
LogP2.81
Rot. Bonds3

About 3-(benzenesulfinyl)-8-piperazin-1-ylquinoline

3-(benzenesulfinyl)-8-piperazin-1-ylquinoline (PubChem CID 145405985) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 3-(benzenesulfinyl)-8-piperazin-1-ylquinoline.

Molecular Properties

Compound Name3-(benzenesulfinyl)-8-piperazin-1-ylquinoline
PubChem CID145405985
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name3-(benzenesulfinyl)-8-piperazin-1-ylquinoline
SMILESO=S(c1ccccc1)c1cnc2c(N3CCNCC3)cccc2c1
InChIInChI=1S/C19H19N3OS/c23-24(16-6-2-1-3-7-16)17-13-15-5-4-8-18(19(15)21-14-17)22-11-9-20-10-12-22/h1-8,13-14,20H,9-12H2
InChIKeyDHILEWICSMSSNC-UHFFFAOYSA-N
XLogP2.81
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonyl)-8-piperazin-1-ylquinoline
CID 11256720
8-piperazin-1-ylquinoline-3-carboxamide
CID 154407057
3-(2-methylphenyl)sulfonyl-8-piperazin-1-ylquinoline
CID 10237186
1-[2-(3-methylphenyl)sulfinylphenyl]piperazine
CID 151995054
1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide
CID 118703673
1-[2-(2,6-dimethylphenyl)sulfinylphenyl]piperazine
CID 151229495
2-cyclopropyl-8-piperazin-1-ylquinoline-3-carboxamide
CID 140866616
1-methyl-2-phenyl-4-piperazin-1-ylbenzimidazole
CID 175763728
2-methyl-5-piperazin-1-ylquinazoline
CID 57444358
8-piperazin-1-ylisoquinoline
CID 21070960
4-piperazin-1-yl-1H-benzimidazole;trihydrobromide
CID 3069489
naphthalen-2-yl-(4-piperazin-1-yl-1H-benzimidazol-2-yl)methanone
CID 46239553

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfinyl)-8-piperazin-1-ylquinoline?
The IUPAC name of 3-(benzenesulfinyl)-8-piperazin-1-ylquinoline (CID 145405985) is 3-(benzenesulfinyl)-8-piperazin-1-ylquinoline.
What is the SMILES notation for 3-(benzenesulfinyl)-8-piperazin-1-ylquinoline?
The canonical SMILES for 3-(benzenesulfinyl)-8-piperazin-1-ylquinoline is O=S(c1ccccc1)c1cnc2c(N3CCNCC3)cccc2c1.
What is the InChIKey of 3-(benzenesulfinyl)-8-piperazin-1-ylquinoline?
The InChIKey is DHILEWICSMSSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c23-24(16-6-2-1-3-7-16)17-13-15-5-4-8-18(19(15)21-14-17)22-11-9-20-10-12-22/h1-8,13-14,20H,9-12H2.
What are the key properties of 3-(benzenesulfinyl)-8-piperazin-1-ylquinoline?
3-(benzenesulfinyl)-8-piperazin-1-ylquinoline has a molecular weight of 337.45 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfinyl)-8-piperazin-1-ylquinoline is sourced from PubChem (CID 145405985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).