[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone

C25H21FN4O3S — CID 4807266

IUPAC[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
SMILESO=C(c1cc(-c2ccncc2)nc2ccccc12)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C25H21FN4O3S/c26-21-6-2-4-8-24(21)34(32,33)30-15-13-29(14-16-30)25(31)20-17-23(18-9-11-27-12-10-18)28-22-7-3-1-5-19(20)22/h1-12,17H,13-16H2
InChIKeyQZHWGAGKXPLBPS-UHFFFAOYSA-N
MW476.53 g/mol
LogP3.58
Rot. Bonds4

About [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone

[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone (PubChem CID 4807266) has the molecular formula C25H21FN4O3S and a molecular weight of 476.53 g/mol. Its IUPAC name is [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
PubChem CID4807266
Molecular FormulaC25H21FN4O3S
Molecular Weight476.53 g/mol
Exact Mass476.13
IUPAC Name[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
SMILESO=C(c1cc(-c2ccncc2)nc2ccccc12)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C25H21FN4O3S/c26-21-6-2-4-8-24(21)34(32,33)30-15-13-29(14-16-30)25(31)20-17-23(18-9-11-27-12-10-18)28-22-7-3-1-5-19(20)22/h1-12,17H,13-16H2
InChIKeyQZHWGAGKXPLBPS-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

[2-(4-fluorophenyl)quinolin-4-yl]-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone
CID 55614291
(4-chlorophenyl)-[4-(2-pyridin-4-ylquinoline-4-carbonyl)piperazin-1-yl]methanone
CID 37068160
[2-(4-bromophenyl)quinolin-4-yl]-(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methanone
CID 167935259
(2-cyclopropylquinolin-4-yl)-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 31425869
(3-methylphenyl)-[4-(2-pyridin-4-ylquinoline-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 38462791
N,N-diethyl-4-(2-phenylquinoline-4-carbonyl)piperazine-1-sulfonamide
CID 24584448
[4-(4-nitrophenyl)piperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 17375114
1-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]ethanone
CID 2344841
[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(1,2,3,4-tetrahydroacridin-9-yl)methanone
CID 27019983
(3,4-dichlorophenyl)-[1-(2-pyridin-4-ylquinoline-4-carbonyl)piperidin-4-yl]methanone
CID 55955997
(8-chloro-2-pyridin-4-ylquinolin-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 1261917
[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone
CID 26766469

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone?
The IUPAC name of [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone (CID 4807266) is [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone.
What is the SMILES notation for [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone?
The canonical SMILES for [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone is O=C(c1cc(-c2ccncc2)nc2ccccc12)N1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone?
The InChIKey is QZHWGAGKXPLBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O3S/c26-21-6-2-4-8-24(21)34(32,33)30-15-13-29(14-16-30)25(31)20-17-23(18-9-11-27-12-10-18)28-22-7-3-1-5-19(20)22/h1-12,17H,13-16H2.
What are the key properties of [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone?
[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(2-pyridin-4-ylquinolin-4-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 [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone is sourced from PubChem (CID 4807266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).