8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline

C22H20N4O4S2 — CID 4173018

IUPAC8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
SMILESO=S(=O)(c1cccc2cccnc12)N1CCN(S(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C22H20N4O4S2/c27-31(28,19-9-1-5-17-7-3-11-23-21(17)19)25-13-15-26(16-14-25)32(29,30)20-10-2-6-18-8-4-12-24-22(18)20/h1-12H,13-16H2
InChIKeyYVQLFSWAFRDEGO-UHFFFAOYSA-N
MW468.56 g/mol
LogP2.48
Rot. Bonds4

About 8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline

8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline (PubChem CID 4173018) has the molecular formula C22H20N4O4S2 and a molecular weight of 468.56 g/mol. Its IUPAC name is 8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline.

Molecular Properties

Compound Name8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
PubChem CID4173018
Molecular FormulaC22H20N4O4S2
Molecular Weight468.56 g/mol
Exact Mass468.09
IUPAC Name8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
SMILESO=S(=O)(c1cccc2cccnc12)N1CCN(S(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C22H20N4O4S2/c27-31(28,19-9-1-5-17-7-3-11-23-21(17)19)25-13-15-26(16-14-25)32(29,30)20-10-2-6-18-8-4-12-24-22(18)20/h1-12H,13-16H2
InChIKeyYVQLFSWAFRDEGO-UHFFFAOYSA-N
XLogP2.48
TPSA100.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-piperidin-1-ylsulfonylquinoline
CID 768759
8-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]sulfonylquinoline
CID 19684943
8-quinolin-8-ylsulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 22772866
8-(4-pyrrol-1-ylpiperidin-1-yl)sulfonylquinoline
CID 2809715
8-[(4-cyclobutyl-1,4-diazepan-1-yl)sulfonyl]quinoline
CID 131703897
8-(4-methyl-4-phenylpiperidin-1-yl)sulfonylquinoline
CID 18338372
(3R)-1-quinolin-8-ylsulfonylpyrrolidin-3-amine
CID 119962398
1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)ethanamine
CID 119974617
8-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]sulfonylquinoline
CID 23933018
8-[4-(pyridin-2-ylmethyl)piperidin-1-yl]sulfonylquinoline
CID 99816764
1-pyridin-2-yl-4-quinolin-8-ylsulfonylpiperazin-2-one
CID 134161610
8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)quinoline
CID 22202524

Frequently Asked Questions

What is the IUPAC name of 8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline?
The IUPAC name of 8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline (CID 4173018) is 8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline.
What is the SMILES notation for 8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline?
The canonical SMILES for 8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline is O=S(=O)(c1cccc2cccnc12)N1CCN(S(=O)(=O)c2cccc3cccnc23)CC1.
What is the InChIKey of 8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline?
The InChIKey is YVQLFSWAFRDEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4S2/c27-31(28,19-9-1-5-17-7-3-11-23-21(17)19)25-13-15-26(16-14-25)32(29,30)20-10-2-6-18-8-4-12-24-22(18)20/h1-12H,13-16H2.
What are the key properties of 8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline?
8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline has a molecular weight of 468.56 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline is sourced from PubChem (CID 4173018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).