4-(2-fluorophenyl)sulfonyl-2-methyl-8-piperazin-1-ylquinoline

C20H20FN3O2S — CID 10126494

IUPAC4-(2-fluorophenyl)sulfonyl-2-methyl-8-piperazin-1-ylquinoline
SMILESCc1cc(S(=O)(=O)c2ccccc2F)c2cccc(N3CCNCC3)c2n1
InChIInChI=1S/C20H20FN3O2S/c1-14-13-19(27(25,26)18-8-3-2-6-16(18)21)15-5-4-7-17(20(15)23-14)24-11-9-22-10-12-24/h2-8,13,22H,9-12H2,1H3
InChIKeyCMULHVMMXKXIIW-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.92
Rot. Bonds3

About 4-(2-fluorophenyl)sulfonyl-2-methyl-8-piperazin-1-ylquinoline

4-(2-fluorophenyl)sulfonyl-2-methyl-8-piperazin-1-ylquinoline (PubChem CID 10126494) has the molecular formula C20H20FN3O2S and a molecular weight of 385.46 g/mol. Its IUPAC name is 4-(2-fluorophenyl)sulfonyl-2-methyl-8-piperazin-1-ylquinoline.

Molecular Properties

Compound Name4-(2-fluorophenyl)sulfonyl-2-methyl-8-piperazin-1-ylquinoline
PubChem CID10126494
Molecular FormulaC20H20FN3O2S
Molecular Weight385.46 g/mol
Exact Mass385.13
IUPAC Name4-(2-fluorophenyl)sulfonyl-2-methyl-8-piperazin-1-ylquinoline
SMILESCc1cc(S(=O)(=O)c2ccccc2F)c2cccc(N3CCNCC3)c2n1
InChIInChI=1S/C20H20FN3O2S/c1-14-13-19(27(25,26)18-8-3-2-6-16(18)21)15-5-4-7-17(20(15)23-14)24-11-9-22-10-12-24/h2-8,13,22H,9-12H2,1H3
InChIKeyCMULHVMMXKXIIW-UHFFFAOYSA-N
XLogP2.92
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-fluoro-2-methyl-4-piperazin-1-ylquinoline
CID 39732499
3-(2-methylphenyl)sulfonyl-8-piperazin-1-ylquinoline
CID 10237186
2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121235975
5,8-difluoro-2-methyl-4-piperazin-1-ylquinoline
CID 121236908
2-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 17040066
2-(2-fluorophenyl)sulfonyl-4-piperazin-1-yl-1,3-dihydroisoindole
CID 142592131
8-fluoro-4-piperazin-1-yl-2-(trifluoromethyl)quinoline
CID 2774821
4-(2-fluorophenyl)sulfonyl-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine;dihydrochloride
CID 90488993
3-(benzenesulfonyl)-8-piperazin-1-ylquinoline
CID 11256720
1-[2-(benzenesulfonyl)phenyl]piperazine
CID 11849201
1-(3-fluoro-2-nitrophenyl)piperazine
CID 53255788
3-(3-fluorophenyl)sulfonyl-1-methyl-7-piperazin-1-ylindole
CID 10292728

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)sulfonyl-2-methyl-8-piperazin-1-ylquinoline?
The IUPAC name of 4-(2-fluorophenyl)sulfonyl-2-methyl-8-piperazin-1-ylquinoline (CID 10126494) is 4-(2-fluorophenyl)sulfonyl-2-methyl-8-piperazin-1-ylquinoline.
What is the SMILES notation for 4-(2-fluorophenyl)sulfonyl-2-methyl-8-piperazin-1-ylquinoline?
The canonical SMILES for 4-(2-fluorophenyl)sulfonyl-2-methyl-8-piperazin-1-ylquinoline is Cc1cc(S(=O)(=O)c2ccccc2F)c2cccc(N3CCNCC3)c2n1.
What is the InChIKey of 4-(2-fluorophenyl)sulfonyl-2-methyl-8-piperazin-1-ylquinoline?
The InChIKey is CMULHVMMXKXIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2S/c1-14-13-19(27(25,26)18-8-3-2-6-16(18)21)15-5-4-7-17(20(15)23-14)24-11-9-22-10-12-24/h2-8,13,22H,9-12H2,1H3.
What are the key properties of 4-(2-fluorophenyl)sulfonyl-2-methyl-8-piperazin-1-ylquinoline?
4-(2-fluorophenyl)sulfonyl-2-methyl-8-piperazin-1-ylquinoline has a molecular weight of 385.46 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)sulfonyl-2-methyl-8-piperazin-1-ylquinoline is sourced from PubChem (CID 10126494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).