7-chloro-5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylquinolin-8-ol

C20H19ClFN3O3S — CID 122442028

IUPAC7-chloro-5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylquinolin-8-ol
SMILESO=S(=O)(c1cc(Cl)c(O)c2ncccc12)N1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C20H19ClFN3O3S/c21-17-12-18(16-2-1-7-23-19(16)20(17)26)29(27,28)25-10-8-24(9-11-25)13-14-3-5-15(22)6-4-14/h1-7,12,26H,8-11,13H2
InChIKeyPQMFMSARNHGQIY-UHFFFAOYSA-N
MW435.91 g/mol
LogP3.24
Rot. Bonds4

About 7-chloro-5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylquinolin-8-ol

7-chloro-5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylquinolin-8-ol (PubChem CID 122442028) has the molecular formula C20H19ClFN3O3S and a molecular weight of 435.91 g/mol. Its IUPAC name is 7-chloro-5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylquinolin-8-ol.

Molecular Properties

Compound Name7-chloro-5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylquinolin-8-ol
PubChem CID122442028
Molecular FormulaC20H19ClFN3O3S
Molecular Weight435.91 g/mol
Exact Mass435.08
IUPAC Name7-chloro-5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylquinolin-8-ol
SMILESO=S(=O)(c1cc(Cl)c(O)c2ncccc12)N1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C20H19ClFN3O3S/c21-17-12-18(16-2-1-7-23-19(16)20(17)26)29(27,28)25-10-8-24(9-11-25)13-14-3-5-15(22)6-4-14/h1-7,12,26H,8-11,13H2
InChIKeyPQMFMSARNHGQIY-UHFFFAOYSA-N
XLogP3.24
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.91
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylquinolin-8-ol?
The IUPAC name of 7-chloro-5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylquinolin-8-ol (CID 122442028) is 7-chloro-5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylquinolin-8-ol.
What is the SMILES notation for 7-chloro-5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylquinolin-8-ol?
The canonical SMILES for 7-chloro-5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylquinolin-8-ol is O=S(=O)(c1cc(Cl)c(O)c2ncccc12)N1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 7-chloro-5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylquinolin-8-ol?
The InChIKey is PQMFMSARNHGQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O3S/c21-17-12-18(16-2-1-7-23-19(16)20(17)26)29(27,28)25-10-8-24(9-11-25)13-14-3-5-15(22)6-4-14/h1-7,12,26H,8-11,13H2.
What are the key properties of 7-chloro-5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylquinolin-8-ol?
7-chloro-5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylquinolin-8-ol has a molecular weight of 435.91 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylquinolin-8-ol is sourced from PubChem (CID 122442028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).