[2-(4-fluorophenyl)quinolin-4-yl]-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone

C25H21FN4O3S — CID 55614291

IUPAC[2-(4-fluorophenyl)quinolin-4-yl]-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone
SMILESO=C(c1cc(-c2ccc(F)cc2)nc2ccccc12)N1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C25H21FN4O3S/c26-19-9-7-18(8-10-19)24-16-22(21-5-1-2-6-23(21)28-24)25(31)29-12-14-30(15-13-29)34(32,33)20-4-3-11-27-17-20/h1-11,16-17H,12-15H2
InChIKeyTYGXFHSRAWLEFC-UHFFFAOYSA-N
MW476.53 g/mol
LogP3.58
Rot. Bonds4

About [2-(4-fluorophenyl)quinolin-4-yl]-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone

[2-(4-fluorophenyl)quinolin-4-yl]-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone (PubChem CID 55614291) has the molecular formula C25H21FN4O3S and a molecular weight of 476.53 g/mol. Its IUPAC name is [2-(4-fluorophenyl)quinolin-4-yl]-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)quinolin-4-yl]-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone
PubChem CID55614291
Molecular FormulaC25H21FN4O3S
Molecular Weight476.53 g/mol
Exact Mass476.13
IUPAC Name[2-(4-fluorophenyl)quinolin-4-yl]-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone
SMILESO=C(c1cc(-c2ccc(F)cc2)nc2ccccc12)N1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C25H21FN4O3S/c26-19-9-7-18(8-10-19)24-16-22(21-5-1-2-6-23(21)28-24)25(31)29-12-14-30(15-13-29)34(32,33)20-4-3-11-27-17-20/h1-11,16-17H,12-15H2
InChIKeyTYGXFHSRAWLEFC-UHFFFAOYSA-N
XLogP3.58
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 4807266
morpholin-4-yl-[2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)quinolin-4-yl]methanone
CID 55638328
(2-pyridin-3-ylquinolin-4-yl)-pyrrolidin-1-ylmethanone
CID 3412131
piperidin-1-yl-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 25179508
[4-(piperidine-1-carbonyl)piperazin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 24610413
[2-(4-bromophenyl)quinolin-4-yl]-(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methanone
CID 167935259
[2-(4-fluorophenyl)quinolin-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 18287541
[2-(4-fluorophenyl)quinolin-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119544927
[4-(benzenesulfonyl)piperazin-1-yl]-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone
CID 1261213
1-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]ethanone
CID 2344841
[4-(ethylaminomethyl)piperidin-1-yl]-[2-(4-fluorophenyl)quinolin-4-yl]methanone
CID 119646409
2-pyridin-2-yl-1-[4-(2-pyridin-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone
CID 56522168

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)quinolin-4-yl]-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of [2-(4-fluorophenyl)quinolin-4-yl]-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone (CID 55614291) is [2-(4-fluorophenyl)quinolin-4-yl]-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(4-fluorophenyl)quinolin-4-yl]-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(4-fluorophenyl)quinolin-4-yl]-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone is O=C(c1cc(-c2ccc(F)cc2)nc2ccccc12)N1CCN(S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of [2-(4-fluorophenyl)quinolin-4-yl]-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone?
The InChIKey is TYGXFHSRAWLEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O3S/c26-19-9-7-18(8-10-19)24-16-22(21-5-1-2-6-23(21)28-24)25(31)29-12-14-30(15-13-29)34(32,33)20-4-3-11-27-17-20/h1-11,16-17H,12-15H2.
What are the key properties of [2-(4-fluorophenyl)quinolin-4-yl]-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone?
[2-(4-fluorophenyl)quinolin-4-yl]-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone has a molecular weight of 476.53 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)quinolin-4-yl]-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 55614291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).