benzo[f]quinolin-5-yl-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone

C24H20FN3O3S — CID 55754039

IUPACbenzo[f]quinolin-5-yl-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(c1cc2ccccc2c2cccnc12)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C24H20FN3O3S/c25-18-6-3-7-19(16-18)32(30,31)28-13-11-27(12-14-28)24(29)22-15-17-5-1-2-8-20(17)21-9-4-10-26-23(21)22/h1-10,15-16H,11-14H2
InChIKeyULVZSLCQDGSJSI-UHFFFAOYSA-N
MW449.51 g/mol
LogP3.67
Rot. Bonds3

About benzo[f]quinolin-5-yl-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone

benzo[f]quinolin-5-yl-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 55754039) has the molecular formula C24H20FN3O3S and a molecular weight of 449.51 g/mol. Its IUPAC name is benzo[f]quinolin-5-yl-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Namebenzo[f]quinolin-5-yl-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID55754039
Molecular FormulaC24H20FN3O3S
Molecular Weight449.51 g/mol
Exact Mass449.12
IUPAC Namebenzo[f]quinolin-5-yl-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(c1cc2ccccc2c2cccnc12)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C24H20FN3O3S/c25-18-6-3-7-19(16-18)32(30,31)28-13-11-27(12-14-28)24(29)22-15-17-5-1-2-8-20(17)21-9-4-10-26-23(21)22/h1-10,15-16H,11-14H2
InChIKeyULVZSLCQDGSJSI-UHFFFAOYSA-N
XLogP3.67
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze benzo[f]quinolin-5-yl-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 55785012
(2,4-difluorophenyl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 4805726
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 26558621
[4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone
CID 167947336
(6-chloroquinolin-8-yl)-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 55875148
(5-fluoro-2-methoxyphenyl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 31305536
[1-(benzo[f]quinoline-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55758585
(2-chloro-3-pyridinyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 9495925
(3-chloro-1-benzothiophen-2-yl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 27828128
[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] (E)-3-quinolin-8-ylprop-2-enoate
CID 16608208
naphthalen-1-yl-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 26204474
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone
CID 7769572

Frequently Asked Questions

What is the IUPAC name of benzo[f]quinolin-5-yl-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of benzo[f]quinolin-5-yl-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone (CID 55754039) is benzo[f]quinolin-5-yl-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for benzo[f]quinolin-5-yl-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for benzo[f]quinolin-5-yl-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone is O=C(c1cc2ccccc2c2cccnc12)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1.
What is the InChIKey of benzo[f]quinolin-5-yl-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is ULVZSLCQDGSJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O3S/c25-18-6-3-7-19(16-18)32(30,31)28-13-11-27(12-14-28)24(29)22-15-17-5-1-2-8-20(17)21-9-4-10-26-23(21)22/h1-10,15-16H,11-14H2.
What are the key properties of benzo[f]quinolin-5-yl-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
benzo[f]quinolin-5-yl-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 449.51 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[f]quinolin-5-yl-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 55754039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).