8-[4-[4-(furan-2-yl)pyrimidin-2-yl]piperazin-1-yl]sulfonylquinoline

C21H19N5O3S — CID 11596960

IUPAC8-[4-[4-(furan-2-yl)pyrimidin-2-yl]piperazin-1-yl]sulfonylquinoline
SMILESO=S(=O)(c1cccc2cccnc12)N1CCN(c2nccc(-c3ccco3)n2)CC1
InChIInChI=1S/C21H19N5O3S/c27-30(28,19-7-1-4-16-5-2-9-22-20(16)19)26-13-11-25(12-14-26)21-23-10-8-17(24-21)18-6-3-15-29-18/h1-10,15H,11-14H2
InChIKeyZUPMBJXDMFGWIL-UHFFFAOYSA-N
MW421.48 g/mol
LogP2.80
Rot. Bonds4

About 8-[4-[4-(furan-2-yl)pyrimidin-2-yl]piperazin-1-yl]sulfonylquinoline

8-[4-[4-(furan-2-yl)pyrimidin-2-yl]piperazin-1-yl]sulfonylquinoline (PubChem CID 11596960) has the molecular formula C21H19N5O3S and a molecular weight of 421.48 g/mol. Its IUPAC name is 8-[4-[4-(furan-2-yl)pyrimidin-2-yl]piperazin-1-yl]sulfonylquinoline.

Molecular Properties

Compound Name8-[4-[4-(furan-2-yl)pyrimidin-2-yl]piperazin-1-yl]sulfonylquinoline
PubChem CID11596960
Molecular FormulaC21H19N5O3S
Molecular Weight421.48 g/mol
Exact Mass421.12
IUPAC Name8-[4-[4-(furan-2-yl)pyrimidin-2-yl]piperazin-1-yl]sulfonylquinoline
SMILESO=S(=O)(c1cccc2cccnc12)N1CCN(c2nccc(-c3ccco3)n2)CC1
InChIInChI=1S/C21H19N5O3S/c27-30(28,19-7-1-4-16-5-2-9-22-20(16)19)26-13-11-25(12-14-26)21-23-10-8-17(24-21)18-6-3-15-29-18/h1-10,15H,11-14H2
InChIKeyZUPMBJXDMFGWIL-UHFFFAOYSA-N
XLogP2.80
TPSA92.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
CID 4173018
8-piperidin-1-ylsulfonylquinoline
CID 768759
N,N,6-trimethyl-2-(4-quinolin-8-ylsulfonylpiperazin-1-yl)pyrimidin-4-amine
CID 122332735
8-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]sulfonylquinoline
CID 122279795
8-quinolin-8-ylsulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 22772866
8-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]sulfonylquinoline
CID 3758703
8-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]sulfonylquinoline
CID 19684943
8-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]sulfonylquinoline
CID 121060900
8-(4-pyrrol-1-ylpiperidin-1-yl)sulfonylquinoline
CID 2809715
8-[(4-cyclobutyl-1,4-diazepan-1-yl)sulfonyl]quinoline
CID 131703897
1-pyridin-2-yl-4-quinolin-8-ylsulfonylpiperazin-2-one
CID 134161610
furan-2-yl-(8-quinolin-8-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)methanone
CID 3958956

Frequently Asked Questions

What is the IUPAC name of 8-[4-[4-(furan-2-yl)pyrimidin-2-yl]piperazin-1-yl]sulfonylquinoline?
The IUPAC name of 8-[4-[4-(furan-2-yl)pyrimidin-2-yl]piperazin-1-yl]sulfonylquinoline (CID 11596960) is 8-[4-[4-(furan-2-yl)pyrimidin-2-yl]piperazin-1-yl]sulfonylquinoline.
What is the SMILES notation for 8-[4-[4-(furan-2-yl)pyrimidin-2-yl]piperazin-1-yl]sulfonylquinoline?
The canonical SMILES for 8-[4-[4-(furan-2-yl)pyrimidin-2-yl]piperazin-1-yl]sulfonylquinoline is O=S(=O)(c1cccc2cccnc12)N1CCN(c2nccc(-c3ccco3)n2)CC1.
What is the InChIKey of 8-[4-[4-(furan-2-yl)pyrimidin-2-yl]piperazin-1-yl]sulfonylquinoline?
The InChIKey is ZUPMBJXDMFGWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3S/c27-30(28,19-7-1-4-16-5-2-9-22-20(16)19)26-13-11-25(12-14-26)21-23-10-8-17(24-21)18-6-3-15-29-18/h1-10,15H,11-14H2.
What are the key properties of 8-[4-[4-(furan-2-yl)pyrimidin-2-yl]piperazin-1-yl]sulfonylquinoline?
8-[4-[4-(furan-2-yl)pyrimidin-2-yl]piperazin-1-yl]sulfonylquinoline has a molecular weight of 421.48 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[4-(furan-2-yl)pyrimidin-2-yl]piperazin-1-yl]sulfonylquinoline is sourced from PubChem (CID 11596960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).