[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone

C23H24FN3O3S — CID 46407821

IUPAC[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3cc(C)nc4cc(F)ccc34)CC2)c1
InChIInChI=1S/C23H24FN3O3S/c1-15-4-5-16(2)22(12-15)31(29,30)27-10-8-26(9-11-27)23(28)20-13-17(3)25-21-14-18(24)6-7-19(20)21/h4-7,12-14H,8-11H2,1-3H3
InChIKeyZTXGOCGJFOFYLA-UHFFFAOYSA-N
MW441.53 g/mol
LogP3.45
Rot. Bonds3

About [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone

[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone (PubChem CID 46407821) has the molecular formula C23H24FN3O3S and a molecular weight of 441.53 g/mol. Its IUPAC name is [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone
PubChem CID46407821
Molecular FormulaC23H24FN3O3S
Molecular Weight441.53 g/mol
Exact Mass441.15
IUPAC Name[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3cc(C)nc4cc(F)ccc34)CC2)c1
InChIInChI=1S/C23H24FN3O3S/c1-15-4-5-16(2)22(12-15)31(29,30)27-10-8-26(9-11-27)23(28)20-13-17(3)25-21-14-18(24)6-7-19(20)21/h4-7,12-14H,8-11H2,1-3H3
InChIKeyZTXGOCGJFOFYLA-UHFFFAOYSA-N
XLogP3.45
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(7-fluoro-2-methylquinolin-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 55604624
[4-(adamantane-1-carbonyl)piperazin-1-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone
CID 46686968
(2,5-dichlorophenyl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 27514595
(7-fluoro-2-methylquinolin-4-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 70740511
[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-quinolin-2-ylmethanone
CID 2608459
(7-fluoro-2-methylquinolin-4-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 39503809
[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 55339656
[2-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]-phenylmethanone
CID 26020417
(7-fluoro-2-methylquinolin-4-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
CID 86929470
[4-(7-fluoro-2-methylquinoline-4-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 94091057
2H-benzotriazol-5-yl-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 24535867
3-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-quinolin-2-one
CID 16589989

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone?
The IUPAC name of [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone (CID 46407821) is [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone.
What is the SMILES notation for [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone?
The canonical SMILES for [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone is Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3cc(C)nc4cc(F)ccc34)CC2)c1.
What is the InChIKey of [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone?
The InChIKey is ZTXGOCGJFOFYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3S/c1-15-4-5-16(2)22(12-15)31(29,30)27-10-8-26(9-11-27)23(28)20-13-17(3)25-21-14-18(24)6-7-19(20)21/h4-7,12-14H,8-11H2,1-3H3.
What are the key properties of [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone?
[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone has a molecular weight of 441.53 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone is sourced from PubChem (CID 46407821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).